1073 lines
38 KiB
Plaintext
1073 lines
38 KiB
Plaintext
bin/GMXRC
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bin/GMXRC.bash
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bin/GMXRC.csh
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bin/GMXRC.zsh
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bin/completion.bash
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bin/completion.csh
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bin/completion.zsh
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bin/demux.pl
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bin/do_dssp%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/editconf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/eneconv%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_anadock%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_anaeig%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_analyze%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_angle%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_bar%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_bond%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_bundle%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_chi%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_cluster%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_clustsize%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_confrms%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_covar%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_current%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_density%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_densmap%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_densorder%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dielectric%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dipoles%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_disre%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dist%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dos%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dyecoupl%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_dyndom%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_enemat%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_energy%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_filter%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_gyrate%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_h2order%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_hbond%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_helix%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_helixorient%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_hydorder%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_kinetics%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_lie%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_luck%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_mdmat%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_membed%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_mindist%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_morph%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_msd%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_nmeig%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_nmens%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_nmtraj%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_options%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_order%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_pme_error%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_polystat%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_potential%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_principal%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_protonate%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rama%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rdf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rms%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rmsdist%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rmsf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rotacf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_rotmat%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_saltbr%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sans%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sas%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_select%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sgangle%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sham%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sigeps%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_sorient%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_spatial%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_spol%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_tcaf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_traj%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_tune_pme%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_vanhove%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_velacc%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_wham%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_wheel%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/g_x2top%%SUFFIX_MPI%%%%SUFFIX_D%%
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%%X11%%bin/g_xrama%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/genbox%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/genconf%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/genion%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/genrestr%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/gmxcheck%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/gmxdump%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/grompp%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/make_edi%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/make_ndx%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/mdrun%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/mk_angndx%%SUFFIX_MPI%%%%SUFFIX_D%%
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%%X11%%bin/ngmx%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/pdb2gmx%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/tpbconv%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/trjcat%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/trjconv%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/trjorder%%SUFFIX_MPI%%%%SUFFIX_D%%
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bin/xplor2gmx.pl
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bin/xpm2ps%%SUFFIX_MPI%%%%SUFFIX_D%%
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include/gromacs/3dview.h
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include/gromacs/CTestTestfile.cmake
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include/gromacs/assert.h
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include/gromacs/atomprop.h
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include/gromacs/bondf.h
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include/gromacs/calcgrid.h
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include/gromacs/calch.h
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include/gromacs/calcmu.h
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include/gromacs/centerofmass.h
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include/gromacs/chargegroup.h
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include/gromacs/checkpoint.h
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include/gromacs/confio.h
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include/gromacs/constr.h
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include/gromacs/copyrite.h
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include/gromacs/coulomb.h
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include/gromacs/displacement.h
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include/gromacs/disre.h
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include/gromacs/do_fit.h
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include/gromacs/domdec.h
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include/gromacs/domdec_network.h
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include/gromacs/ebin.h
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include/gromacs/edsam.h
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include/gromacs/enxio.h
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include/gromacs/ffscanf.h
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include/gromacs/filenm.h
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include/gromacs/force.h
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include/gromacs/futil.h
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include/gromacs/gbutil.h
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include/gromacs/gen_ad.h
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include/gromacs/genborn.h
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include/gromacs/gmx_ana.h
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include/gromacs/gmx_avx_double.h
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include/gromacs/gmx_avx_single.h
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include/gromacs/gmx_cpuid.h
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include/gromacs/gmx_cyclecounter.h
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include/gromacs/gmx_detect_hardware.h
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include/gromacs/gmx_fatal.h
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include/gromacs/gmx_fatal_collective.h
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include/gromacs/gmx_fft.h
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include/gromacs/gmx_ga2la.h
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include/gromacs/gmx_hash.h
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include/gromacs/gmx_header_config.h
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include/gromacs/gmx_math_x86_avx_128_fma_double.h
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include/gromacs/gmx_math_x86_avx_128_fma_single.h
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include/gromacs/gmx_math_x86_avx_256_double.h
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include/gromacs/gmx_math_x86_avx_256_single.h
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include/gromacs/gmx_math_x86_sse2_double.h
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include/gromacs/gmx_math_x86_sse2_single.h
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include/gromacs/gmx_math_x86_sse4_1_double.h
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include/gromacs/gmx_math_x86_sse4_1_single.h
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include/gromacs/gmx_matrix.h
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include/gromacs/gmx_omp.h
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include/gromacs/gmx_omp_nthreads.h
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include/gromacs/gmx_parallel_3dfft.h
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include/gromacs/gmx_random.h
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include/gromacs/gmx_simd_macros.h
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include/gromacs/gmx_sort.h
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include/gromacs/gmx_statistics.h
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include/gromacs/gmx_system_xdr.h
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include/gromacs/gmx_thread_affinity.h
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include/gromacs/gmx_wallcycle.h
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include/gromacs/gmx_x86_avx_128_fma.h
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include/gromacs/gmx_x86_avx_256.h
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include/gromacs/gmx_x86_simd_double.h
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include/gromacs/gmx_x86_simd_single.h
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include/gromacs/gmx_x86_sse2.h
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include/gromacs/gmx_x86_sse4_1.h
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include/gromacs/gmxcomplex.h
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include/gromacs/gmxcpp.h
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include/gromacs/gmxfio.h
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include/gromacs/gpp_atomtype.h
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include/gromacs/gpp_nextnb.h
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include/gromacs/gpu_utils.h
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include/gromacs/grompp.h
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include/gromacs/gstat.h
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include/gromacs/hackblock.h
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include/gromacs/histogram.h
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include/gromacs/index.h
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include/gromacs/indexutil.h
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include/gromacs/inputrec.h
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include/gromacs/invblock.h
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include/gromacs/macros.h
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include/gromacs/main.h
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include/gromacs/mainpage.h
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include/gromacs/maths.h
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include/gromacs/matio.h
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include/gromacs/md5.h
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include/gromacs/md_logging.h
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include/gromacs/md_support.h
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include/gromacs/mdatoms.h
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include/gromacs/mdebin.h
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include/gromacs/mdrun.h
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include/gromacs/mpelogging.h
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include/gromacs/mshift.h
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include/gromacs/mtop_util.h
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include/gromacs/mtxio.h
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include/gromacs/mvdata.h
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include/gromacs/names.h
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include/gromacs/nbnxn_cuda_data_mgmt.h
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include/gromacs/nbsearch.h
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include/gromacs/network.h
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include/gromacs/nonbonded.h
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include/gromacs/nrama.h
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include/gromacs/nrjac.h
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include/gromacs/nrnb.h
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include/gromacs/ns.h
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include/gromacs/nsgrid.h
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include/gromacs/oenv.h
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include/gromacs/orires.h
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include/gromacs/partdec.h
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include/gromacs/pbc.h
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include/gromacs/pdb2top.h
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include/gromacs/pdbio.h
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include/gromacs/perf_est.h
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include/gromacs/physics.h
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include/gromacs/pmalloc_cuda.h
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include/gromacs/pme.h
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include/gromacs/poscalc.h
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include/gromacs/position.h
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include/gromacs/princ.h
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include/gromacs/pull.h
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include/gromacs/pull_rotation.h
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include/gromacs/qmmm.h
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include/gromacs/random.h
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include/gromacs/rbin.h
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include/gromacs/readinp.h
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include/gromacs/resall.h
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include/gromacs/rmpbc.h
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include/gromacs/selection.h
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include/gromacs/selmethod.h
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include/gromacs/selparam.h
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include/gromacs/selvalue.h
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include/gromacs/sfactor.h
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include/gromacs/shellfc.h
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include/gromacs/shift.h
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include/gromacs/sighandler.h
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include/gromacs/sim_util.h
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include/gromacs/smalloc.h
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include/gromacs/sortwater.h
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include/gromacs/sparsematrix.h
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include/gromacs/split.h
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include/gromacs/splitter.h
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include/gromacs/statutil.h
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include/gromacs/strdb.h
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include/gromacs/string2.h
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include/gromacs/symtab.h
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include/gromacs/sysstuff.h
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include/gromacs/tables.h
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include/gromacs/tgroup.h
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include/gromacs/thread_mpi.h
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include/gromacs/thread_mpi/atomic.h
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include/gromacs/thread_mpi/atomic/cycles.h
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include/gromacs/thread_mpi/atomic/gcc.h
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include/gromacs/thread_mpi/atomic/gcc_ia64.h
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include/gromacs/thread_mpi/atomic/gcc_intrinsics.h
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include/gromacs/thread_mpi/atomic/gcc_ppc.h
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include/gromacs/thread_mpi/atomic/gcc_spinlock.h
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include/gromacs/thread_mpi/atomic/gcc_x86.h
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include/gromacs/thread_mpi/atomic/msvc.h
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include/gromacs/thread_mpi/atomic/suncc-sparc.h
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include/gromacs/thread_mpi/atomic/xlc_ppc.h
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include/gromacs/thread_mpi/barrier.h
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include/gromacs/thread_mpi/collective.h
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include/gromacs/thread_mpi/event.h
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include/gromacs/thread_mpi/hwinfo.h
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include/gromacs/thread_mpi/list.h
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include/gromacs/thread_mpi/lock.h
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include/gromacs/thread_mpi/mpi_bindings.h
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include/gromacs/thread_mpi/mutex.h
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include/gromacs/thread_mpi/numa_malloc.h
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include/gromacs/thread_mpi/system_error.h
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include/gromacs/thread_mpi/threads.h
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include/gromacs/thread_mpi/tmpi.h
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include/gromacs/thread_mpi/visibility.h
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include/gromacs/thread_mpi/wait.h
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include/gromacs/tmpi.h
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include/gromacs/topsort.h
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include/gromacs/toputil.h
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include/gromacs/tpxio.h
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include/gromacs/trajana.h
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include/gromacs/trnio.h
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include/gromacs/txtdump.h
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include/gromacs/typedefs.h
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include/gromacs/types/atoms.h
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include/gromacs/types/block.h
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include/gromacs/types/commrec.h
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include/gromacs/types/constr.h
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include/gromacs/types/energy.h
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include/gromacs/types/enums.h
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include/gromacs/types/fcdata.h
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include/gromacs/types/filenm.h
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include/gromacs/types/force_flags.h
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include/gromacs/types/forcerec.h
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include/gromacs/types/genborn.h
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include/gromacs/types/globsig.h
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include/gromacs/types/graph.h
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include/gromacs/types/group.h
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include/gromacs/types/hw_info.h
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include/gromacs/types/idef.h
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include/gromacs/types/ifunc.h
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include/gromacs/types/inputrec.h
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include/gromacs/types/interaction_const.h
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include/gromacs/types/ishift.h
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include/gromacs/types/iteratedconstraints.h
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include/gromacs/types/matrix.h
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include/gromacs/types/mdatom.h
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include/gromacs/types/membedt.h
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include/gromacs/types/nb_verlet.h
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include/gromacs/types/nblist.h
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include/gromacs/types/nbnxn_cuda_types_ext.h
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include/gromacs/types/nbnxn_pairlist.h
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include/gromacs/types/nlistheuristics.h
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include/gromacs/types/nrnb.h
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include/gromacs/types/ns.h
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include/gromacs/types/nsgrid.h
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include/gromacs/types/oenv.h
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include/gromacs/types/pbc.h
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include/gromacs/types/qmmmrec.h
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include/gromacs/types/shellfc.h
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include/gromacs/types/simple.h
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include/gromacs/types/state.h
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include/gromacs/types/symtab.h
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include/gromacs/types/topology.h
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include/gromacs/types/trx.h
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include/gromacs/update.h
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include/gromacs/vcm.h
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include/gromacs/vec.h
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include/gromacs/version.h
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include/gromacs/viewit.h
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include/gromacs/visibility.h
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include/gromacs/vsite.h
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include/gromacs/warninp.h
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include/gromacs/wgms.h
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include/gromacs/wman.h
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include/gromacs/writeps.h
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include/gromacs/xdrf.h
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include/gromacs/xtcio.h
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include/gromacs/xvgr.h
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so.8
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so.8
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.so.8
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so.8
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libdata/pkgconfig/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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%%DATADIR%%/COPYING
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%%DATADIR%%/CTestTestfile.cmake
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%%DATADIR%%/README.tutor
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%%DATADIR%%/README_FreeEnergyModifications.txt
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%%DATADIR%%/html/gmxfaq.html
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%%DATADIR%%/html/images/1ctf-0.2.jpg
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%%DATADIR%%/top/amber99sb-ildn.ff/rna.hdb
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%%DATADIR%%/top/amber99sb-ildn.ff/rna.r2b
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%%DATADIR%%/top/amber99sb-ildn.ff/rna.rtp
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%%DATADIR%%/top/amber99sb-ildn.ff/spc.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/spce.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/tip3p.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/tip4p.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/tip4pew.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/tip5p.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/urea.itp
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%%DATADIR%%/top/amber99sb-ildn.ff/watermodels.dat
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%%DATADIR%%/top/amber99sb.ff/aminoacids.arn
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%%DATADIR%%/top/amber99sb.ff/aminoacids.c.tdb
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%%DATADIR%%/top/amber99sb.ff/aminoacids.hdb
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%%DATADIR%%/top/amber99sb.ff/aminoacids.n.tdb
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%%DATADIR%%/top/amber99sb.ff/aminoacids.r2b
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%%DATADIR%%/top/amber99sb.ff/aminoacids.rtp
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%%DATADIR%%/top/amber99sb.ff/aminoacids.vsd
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%%DATADIR%%/top/amber99sb.ff/atomtypes.atp
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%%DATADIR%%/top/amber99sb.ff/dna.arn
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%%DATADIR%%/top/amber99sb.ff/dna.hdb
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%%DATADIR%%/top/amber99sb.ff/dna.r2b
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%%DATADIR%%/top/amber99sb.ff/dna.rtp
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%%DATADIR%%/top/amber99sb.ff/ffbonded.itp
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%%DATADIR%%/top/amber99sb.ff/ffnonbonded.itp
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%%DATADIR%%/top/amber99sb.ff/forcefield.doc
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%%DATADIR%%/top/amber99sb.ff/forcefield.itp
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%%DATADIR%%/top/amber99sb.ff/gbsa.itp
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%%DATADIR%%/top/amber99sb.ff/ions.itp
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%%DATADIR%%/top/amber99sb.ff/rna.arn
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%%DATADIR%%/top/amber99sb.ff/rna.hdb
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%%DATADIR%%/top/amber99sb.ff/rna.r2b
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%%DATADIR%%/top/amber99sb.ff/rna.rtp
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%%DATADIR%%/top/amber99sb.ff/spc.itp
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%%DATADIR%%/top/amber99sb.ff/spce.itp
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%%DATADIR%%/top/amber99sb.ff/tip3p.itp
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%%DATADIR%%/top/amber99sb.ff/tip4p.itp
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%%DATADIR%%/top/amber99sb.ff/tip4pew.itp
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%%DATADIR%%/top/amber99sb.ff/tip5p.itp
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%%DATADIR%%/top/amber99sb.ff/urea.itp
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%%DATADIR%%/top/amber99sb.ff/watermodels.dat
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%%DATADIR%%/top/amberGS.ff/aminoacids.arn
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%%DATADIR%%/top/amberGS.ff/aminoacids.c.tdb
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%%DATADIR%%/top/amberGS.ff/aminoacids.hdb
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%%DATADIR%%/top/amberGS.ff/aminoacids.r2b
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%%DATADIR%%/top/amberGS.ff/aminoacids.rtp
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%%DATADIR%%/top/amberGS.ff/aminoacids.vsd
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%%DATADIR%%/top/amberGS.ff/atomtypes.atp
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%%DATADIR%%/top/amberGS.ff/dna.arn
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%%DATADIR%%/top/amberGS.ff/dna.hdb
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%%DATADIR%%/top/amberGS.ff/dna.r2b
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%%DATADIR%%/top/amberGS.ff/dna.rtp
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%%DATADIR%%/top/amberGS.ff/ffbonded.itp
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%%DATADIR%%/top/amberGS.ff/ffnonbonded.itp
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%%DATADIR%%/top/amberGS.ff/forcefield.doc
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%%DATADIR%%/top/amberGS.ff/forcefield.itp
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%%DATADIR%%/top/amberGS.ff/gbsa.itp
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%%DATADIR%%/top/amberGS.ff/ions.itp
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%%DATADIR%%/top/amberGS.ff/rna.arn
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%%DATADIR%%/top/amberGS.ff/rna.hdb
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%%DATADIR%%/top/amberGS.ff/rna.r2b
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%%DATADIR%%/top/amberGS.ff/rna.rtp
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%%DATADIR%%/top/amberGS.ff/spc.itp
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%%DATADIR%%/top/amberGS.ff/spce.itp
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%%DATADIR%%/top/amberGS.ff/tip3p.itp
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%%DATADIR%%/top/amberGS.ff/tip4p.itp
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%%DATADIR%%/top/amberGS.ff/tip4pew.itp
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%%DATADIR%%/top/amberGS.ff/tip5p.itp
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%%DATADIR%%/top/amberGS.ff/urea.itp
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%%DATADIR%%/top/amberGS.ff/watermodels.dat
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%%DATADIR%%/top/atom_nom.tbl
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%%DATADIR%%/top/atommass.dat
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%%DATADIR%%/top/bonds.dlg
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%%DATADIR%%/top/bromacs.dat
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%%DATADIR%%/top/ca-shift.dat
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%%DATADIR%%/top/charmm27.ff/aminoacids.arn
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%%DATADIR%%/top/charmm27.ff/atomtypes.atp
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%%DATADIR%%/top/charmm27.ff/cmap.itp
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%%DATADIR%%/top/charmm27.ff/dna.arn
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%%DATADIR%%/top/charmm27.ff/dna.rtp
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%%DATADIR%%/top/charmm27.ff/ffbonded.itp
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%%DATADIR%%/top/charmm27.ff/ffnabonded.itp
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%%DATADIR%%/top/charmm27.ff/ffnanonbonded.itp
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%%DATADIR%%/top/charmm27.ff/ffnonbonded.itp
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%%DATADIR%%/top/charmm27.ff/forcefield.doc
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%%DATADIR%%/top/charmm27.ff/forcefield.itp
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%%DATADIR%%/top/charmm27.ff/gb.itp
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%%DATADIR%%/top/charmm27.ff/ions.itp
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%%DATADIR%%/top/charmm27.ff/lipids.hdb
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%%DATADIR%%/top/charmm27.ff/lipids.rtp
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%%DATADIR%%/top/charmm27.ff/rna.arn
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%%DATADIR%%/top/charmm27.ff/rna.c.tdb
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%%DATADIR%%/top/charmm27.ff/rna.rtp
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%%DATADIR%%/top/charmm27.ff/spc.itp
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%%DATADIR%%/top/charmm27.ff/spce.itp
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%%DATADIR%%/top/charmm27.ff/tip3p.itp
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%%DATADIR%%/top/charmm27.ff/tip5p.itp
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%%DATADIR%%/top/charmm27.ff/tips3p.itp
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%%DATADIR%%/top/charmm27.ff/watermodels.dat
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%%DATADIR%%/top/co-shift.dat
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%%DATADIR%%/top/defselection.dat
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%%DATADIR%%/top/dgsolv.dat
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%%DATADIR%%/top/edissoc.dat
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%%DATADIR%%/top/electroneg.dat
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%%DATADIR%%/top/elements.dat
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%%DATADIR%%/top/encads.ff/aminoacids.c.tdb
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%%DATADIR%%/top/encads.ff/aminoacids.hdb
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%%DATADIR%%/top/encads.ff/aminoacids.rtp
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%%DATADIR%%/top/encads.ff/atomtypes.atp
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%%DATADIR%%/top/encads.ff/f3c.itp
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%%DATADIR%%/top/encads.ff/ffbonded.itp
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%%DATADIR%%/top/encads.ff/ffnonbonded.itp
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%%DATADIR%%/top/encads.ff/forcefield.doc
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%%DATADIR%%/top/encads.ff/forcefield.itp
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%%DATADIR%%/top/encads.ff/watermodels.dat
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%%DATADIR%%/top/encadv.ff/aminoacids.c.tdb
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%%DATADIR%%/top/encadv.ff/aminoacids.hdb
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%%DATADIR%%/top/encadv.ff/aminoacids.r2b
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%%DATADIR%%/top/encadv.ff/aminoacids.rtp
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%%DATADIR%%/top/encadv.ff/atomtypes.atp
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%%DATADIR%%/top/encadv.ff/ffbonded.itp
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%%DATADIR%%/top/encadv.ff/ffnonbonded.itp
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%%DATADIR%%/top/encadv.ff/forcefield.doc
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%%DATADIR%%/top/encadv.ff/forcefield.itp
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%%DATADIR%%/top/encadv.ff/watermodels.dat
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%%DATADIR%%/top/export.dlg
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%%DATADIR%%/top/ffG43a1.itp
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%%DATADIR%%/top/ffG43a2.itp
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%%DATADIR%%/top/ffG45a3.itp
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%%DATADIR%%/top/ffG53a5.itp
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%%DATADIR%%/top/ffG53a6.itp
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%%DATADIR%%/top/ffencads.itp
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%%DATADIR%%/top/ffencadv.itp
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%%DATADIR%%/top/ffgmx.itp
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%%DATADIR%%/top/ffgmx2.itp
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%%DATADIR%%/top/ffoplsaa-n.tst
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%%DATADIR%%/top/ffoplsaa.itp
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%%DATADIR%%/top/flexspc.itp
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%%DATADIR%%/top/flexspce.itp
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%%DATADIR%%/top/flexwat-ferguson.itp
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%%DATADIR%%/top/gmx.ff/1mlg.itp
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%%DATADIR%%/top/gmx.ff/2mlg.itp
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%%DATADIR%%/top/gmx.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gmx.ff/aminoacids.rtp
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%%DATADIR%%/top/gmx.ff/atomtypes.atp
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%%DATADIR%%/top/gmx.ff/decane.itp
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%%DATADIR%%/top/gmx.ff/decane50.gro
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%%DATADIR%%/top/gmx.ff/dlg.itp
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%%DATADIR%%/top/gmx.ff/fa.itp
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%%DATADIR%%/top/gmx.ff/ff_dum.itp
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%%DATADIR%%/top/gmx.ff/ffbonded.itp
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%%DATADIR%%/top/gmx.ff/ffnonbonded.itp
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%%DATADIR%%/top/gmx.ff/forcefield.doc
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%%DATADIR%%/top/gmx.ff/forcefield.itp
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%%DATADIR%%/top/gmx.ff/h2p4o13.itp
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%%DATADIR%%/top/gmx.ff/h2p8o25.itp
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%%DATADIR%%/top/gmx.ff/h2po4.itp
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%%DATADIR%%/top/gmx.ff/ions.itp
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%%DATADIR%%/top/gmx.ff/tfe.itp
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%%DATADIR%%/top/gmx.ff/tip3p.itp
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%%DATADIR%%/top/gmx.ff/tip4p.itp
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%%DATADIR%%/top/gmx.ff/watermodels.dat
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%%DATADIR%%/top/gmx2.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gmx2.ff/aminoacids.hdb
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%%DATADIR%%/top/gmx2.ff/aminoacids.rtp
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%%DATADIR%%/top/gmx2.ff/atomtypes.atp
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%%DATADIR%%/top/gmx2.ff/ff_dum.itp
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%%DATADIR%%/top/gmx2.ff/ffbonded.itp
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%%DATADIR%%/top/gmx2.ff/ffnonbonded.itp
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%%DATADIR%%/top/gmx2.ff/forcefield.doc
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%%DATADIR%%/top/gmx2.ff/forcefield.itp
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%%DATADIR%%/top/gmx2.ff/ions.itp
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%%DATADIR%%/top/gmx2.ff/spc.itp
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%%DATADIR%%/top/gmx2.ff/spce.itp
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%%DATADIR%%/top/gmx2.ff/tip3p.itp
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%%DATADIR%%/top/gmx2.ff/watermodels.dat
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%%DATADIR%%/top/gromos43a1.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gromos43a1.ff/aminoacids.hdb
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%%DATADIR%%/top/gromos43a1.ff/aminoacids.r2b
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%%DATADIR%%/top/gromos43a1.ff/aminoacids.rtp
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%%DATADIR%%/top/gromos43a1.ff/atomtypes.atp
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%%DATADIR%%/top/gromos43a1.ff/ff_dum.itp
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%%DATADIR%%/top/gromos43a1.ff/ffbonded.itp
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%%DATADIR%%/top/gromos43a1.ff/ffnonbonded.itp
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%%DATADIR%%/top/gromos43a1.ff/forcefield.doc
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%%DATADIR%%/top/gromos43a1.ff/forcefield.itp
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%%DATADIR%%/top/gromos43a1.ff/ions.itp
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%%DATADIR%%/top/gromos43a1.ff/methanol.itp
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%%DATADIR%%/top/gromos43a1.ff/methanol216.gro
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%%DATADIR%%/top/gromos43a1.ff/spc.itp
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%%DATADIR%%/top/gromos43a1.ff/spce.itp
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%%DATADIR%%/top/gromos43a1.ff/tip3p.itp
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%%DATADIR%%/top/gromos43a1.ff/tip4p.itp
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%%DATADIR%%/top/gromos43a1.ff/watermodels.dat
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%%DATADIR%%/top/gromos43a2.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gromos43a2.ff/aminoacids.hdb
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%%DATADIR%%/top/gromos43a2.ff/aminoacids.r2b
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%%DATADIR%%/top/gromos43a2.ff/aminoacids.rtp
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%%DATADIR%%/top/gromos43a2.ff/aminoacids.vsd
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%%DATADIR%%/top/gromos43a2.ff/atomtypes.atp
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%%DATADIR%%/top/gromos43a2.ff/ff_dum.itp
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%%DATADIR%%/top/gromos43a2.ff/ffbonded.itp
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%%DATADIR%%/top/gromos43a2.ff/ffnonbonded.itp
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%%DATADIR%%/top/gromos43a2.ff/forcefield.doc
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%%DATADIR%%/top/gromos43a2.ff/forcefield.itp
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%%DATADIR%%/top/gromos43a2.ff/ions.itp
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%%DATADIR%%/top/gromos43a2.ff/spc.itp
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%%DATADIR%%/top/gromos43a2.ff/spce.itp
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%%DATADIR%%/top/gromos43a2.ff/tip3p.itp
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%%DATADIR%%/top/gromos43a2.ff/tip4p.itp
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%%DATADIR%%/top/gromos43a2.ff/watermodels.dat
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.hdb
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.n.tdb
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.r2b
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.rtp
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%%DATADIR%%/top/gromos45a3.ff/aminoacids.vsd
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%%DATADIR%%/top/gromos45a3.ff/atomtypes.atp
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%%DATADIR%%/top/gromos45a3.ff/ff_dum.itp
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%%DATADIR%%/top/gromos45a3.ff/ffbonded.itp
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%%DATADIR%%/top/gromos45a3.ff/ffnonbonded.itp
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%%DATADIR%%/top/gromos45a3.ff/forcefield.doc
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%%DATADIR%%/top/gromos45a3.ff/forcefield.itp
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%%DATADIR%%/top/gromos45a3.ff/ions.itp
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%%DATADIR%%/top/gromos45a3.ff/spc.itp
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%%DATADIR%%/top/gromos45a3.ff/spce.itp
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%%DATADIR%%/top/gromos45a3.ff/tip3p.itp
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%%DATADIR%%/top/gromos45a3.ff/watermodels.dat
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%%DATADIR%%/top/gromos53a5.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gromos53a5.ff/aminoacids.hdb
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%%DATADIR%%/top/gromos53a5.ff/aminoacids.r2b
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%%DATADIR%%/top/gromos53a5.ff/aminoacids.rtp
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%%DATADIR%%/top/gromos53a5.ff/aminoacids.vsd
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%%DATADIR%%/top/gromos53a5.ff/atomname2type.n2t
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%%DATADIR%%/top/gromos53a5.ff/atomtypes.atp
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%%DATADIR%%/top/gromos53a5.ff/ff_dum.itp
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%%DATADIR%%/top/gromos53a5.ff/ffbonded.itp
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%%DATADIR%%/top/gromos53a5.ff/ffnonbonded.itp
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%%DATADIR%%/top/gromos53a5.ff/forcefield.doc
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%%DATADIR%%/top/gromos53a5.ff/forcefield.itp
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%%DATADIR%%/top/gromos53a5.ff/ions.itp
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%%DATADIR%%/top/gromos53a5.ff/spc.itp
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%%DATADIR%%/top/gromos53a5.ff/spce.itp
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%%DATADIR%%/top/gromos53a5.ff/tip3p.itp
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%%DATADIR%%/top/gromos53a5.ff/tip4p.itp
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%%DATADIR%%/top/gromos53a5.ff/watermodels.dat
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.c.tdb
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.hdb
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.n.tdb
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.r2b
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.rtp
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%%DATADIR%%/top/gromos53a6.ff/aminoacids.vsd
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%%DATADIR%%/top/gromos53a6.ff/atomtypes.atp
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%%DATADIR%%/top/gromos53a6.ff/ff_dum.itp
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%%DATADIR%%/top/gromos53a6.ff/ffbonded.itp
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%%DATADIR%%/top/gromos53a6.ff/ffnonbonded.itp
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%%DATADIR%%/top/gromos53a6.ff/forcefield.doc
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%%DATADIR%%/top/gromos53a6.ff/forcefield.itp
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%%DATADIR%%/top/gromos53a6.ff/ions.itp
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%%DATADIR%%/top/gromos53a6.ff/spc.itp
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%%DATADIR%%/top/gromos53a6.ff/spce.itp
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%%DATADIR%%/top/gromos53a6.ff/tip3p.itp
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%%DATADIR%%/top/gromos53a6.ff/tip4p.itp
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%%DATADIR%%/top/gromos53a6.ff/watermodels.dat
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%%DATADIR%%/top/gurgle.dat
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%%DATADIR%%/top/ha-shift.dat
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%%DATADIR%%/top/highway.dat
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%%DATADIR%%/top/ions.itp
|
|
%%DATADIR%%/top/links.dat
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%%DATADIR%%/top/nsfactor.dat
|
|
%%DATADIR%%/top/oplsaa.ff/1propanol.itp
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.c.tdb
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.hdb
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.n.tdb
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.r2b
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.rtp
|
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%%DATADIR%%/top/oplsaa.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/oplsaa.ff/atomname2type.n2t
|
|
%%DATADIR%%/top/oplsaa.ff/atomtypes.atp
|
|
%%DATADIR%%/top/oplsaa.ff/ethanol.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ffbonded.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/oplsaa.ff/forcefield.doc
|
|
%%DATADIR%%/top/oplsaa.ff/forcefield.itp
|
|
%%DATADIR%%/top/oplsaa.ff/gbsa.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ions.itp
|
|
%%DATADIR%%/top/oplsaa.ff/methanol.itp
|
|
%%DATADIR%%/top/oplsaa.ff/spc.itp
|
|
%%DATADIR%%/top/oplsaa.ff/spce.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip3p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip4p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip5p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/watermodels.dat
|
|
%%DATADIR%%/top/phbres.dat
|
|
%%DATADIR%%/top/ps.m2p
|
|
%%DATADIR%%/top/random.dat
|
|
%%DATADIR%%/top/refi_aa.dat
|
|
%%DATADIR%%/top/residues.dtd
|
|
%%DATADIR%%/top/residues.xml
|
|
%%DATADIR%%/top/residuetypes.dat
|
|
%%DATADIR%%/top/sfactor.dat
|
|
%%DATADIR%%/top/spc.itp
|
|
%%DATADIR%%/top/spc216.gro
|
|
%%DATADIR%%/top/spce.itp
|
|
%%DATADIR%%/top/specbond.dat
|
|
%%DATADIR%%/top/ss.map
|
|
%%DATADIR%%/top/surface.dat
|
|
%%DATADIR%%/top/sw.itp
|
|
%%DATADIR%%/top/table6-10.xvg
|
|
%%DATADIR%%/top/table6-11.xvg
|
|
%%DATADIR%%/top/table6-12.xvg
|
|
%%DATADIR%%/top/table6-8.xvg
|
|
%%DATADIR%%/top/table6-9.xvg
|
|
%%DATADIR%%/top/tip3p.itp
|
|
%%DATADIR%%/top/tip4p.gro
|
|
%%DATADIR%%/top/tip4p.itp
|
|
%%DATADIR%%/top/tip5p.gro
|
|
%%DATADIR%%/top/vdw-msms.dat
|
|
%%DATADIR%%/top/vdwradii.dat
|
|
%%DATADIR%%/top/xlateat.dat
|
|
@dirrm %%DATADIR%%/top/oplsaa.ff
|
|
@dirrm %%DATADIR%%/top/gromos53a6.ff
|
|
@dirrm %%DATADIR%%/top/gromos53a5.ff
|
|
@dirrm %%DATADIR%%/top/gromos45a3.ff
|
|
@dirrm %%DATADIR%%/top/gromos43a2.ff
|
|
@dirrm %%DATADIR%%/top/gromos43a1.ff
|
|
@dirrm %%DATADIR%%/top/gmx2.ff
|
|
@dirrm %%DATADIR%%/top/gmx.ff
|
|
@dirrm %%DATADIR%%/top/encadv.ff
|
|
@dirrm %%DATADIR%%/top/encads.ff
|
|
@dirrm %%DATADIR%%/top/charmm27.ff
|
|
@dirrm %%DATADIR%%/top/amberGS.ff
|
|
@dirrm %%DATADIR%%/top/amber99sb.ff
|
|
@dirrm %%DATADIR%%/top/amber99sb-ildn.ff
|
|
@dirrm %%DATADIR%%/top/amber99.ff
|
|
@dirrm %%DATADIR%%/top/amber96.ff
|
|
@dirrm %%DATADIR%%/top/amber94.ff
|
|
@dirrm %%DATADIR%%/top/amber03.ff
|
|
@dirrm %%DATADIR%%/top
|
|
@dirrm %%DATADIR%%/template/cmake
|
|
@dirrm %%DATADIR%%/template
|
|
@dirrm %%DATADIR%%/html/online
|
|
@dirrm %%DATADIR%%/html/images
|
|
@dirrm %%DATADIR%%/html
|
|
@dirrm %%DATADIR%%
|
|
@dirrm include/gromacs/types
|
|
@dirrm include/gromacs/thread_mpi/atomic
|
|
@dirrm include/gromacs/thread_mpi
|
|
@dirrm include/gromacs
|