freebsd-ports/science/gromacs/pkg-plist
Martin Wilke df9917ecb6 - Update to 4.0.7
PR:		141284
Submitted by:	Florian Smeets <flo@kasimir.com> (maintainer)
2009-12-13 00:21:04 +00:00

623 lines
17 KiB
Plaintext

bin/GMXRC
bin/GMXRC.bash
bin/GMXRC.csh
bin/GMXRC.zsh
bin/anadock
bin/completion.bash
bin/completion.csh
bin/completion.zsh
bin/demux.pl
bin/do_dssp
bin/editconf
bin/eneconv
bin/g_anaeig
bin/g_analyze
bin/g_angle
bin/g_bond
bin/g_bundle
bin/g_chi
bin/g_cluster
bin/g_clustsize
bin/g_confrms
bin/g_covar
bin/g_current
bin/g_density
bin/g_densmap
bin/g_dielectric
bin/g_dih
bin/g_dipoles
bin/g_disre
bin/g_dist
bin/g_dyndom
bin/g_enemat
bin/g_energy
bin/g_filter
bin/g_gyrate
bin/g_h2order
bin/g_hbond
bin/g_helix
bin/g_helixorient
bin/g_kinetics
bin/g_lie
bin/g_mdmat
bin/g_mindist
bin/g_morph
bin/g_msd
bin/g_nmeig
bin/g_nmens
bin/g_nmtraj
bin/g_order
bin/g_polystat
bin/g_potential
bin/g_principal
bin/g_rama
bin/g_rdf
bin/g_rms
bin/g_rmsdist
bin/g_rmsf
bin/g_rotacf
bin/g_saltbr
bin/g_sas
bin/g_sdf
bin/g_sgangle
bin/g_sham
bin/g_sorient
bin/g_spatial
bin/g_spol
bin/g_tcaf
bin/g_traj
bin/g_vanhove
bin/g_velacc
bin/g_wham
bin/genbox
bin/genconf
bin/genion
bin/genrestr
bin/gmxcheck
bin/gmxdump
bin/grompp
%%X11%%bin/highway
bin/luck
bin/make_edi
bin/make_ndx
bin/mdrun
bin/mk_angndx
%%X11%%bin/ngmx
bin/pdb2gmx
bin/protonate
bin/sigeps
bin/tpbconv
bin/trjcat
bin/trjconv
bin/trjorder
bin/wheel
bin/x2top
bin/xplor2gmx.pl
bin/xpm2ps
%%X11%%bin/xrama
include/gromacs/3dview.h
include/gromacs/assert.h
include/gromacs/atomprop.h
include/gromacs/bondf.h
include/gromacs/calcgrid.h
include/gromacs/calch.h
include/gromacs/calcmu.h
include/gromacs/checkpoint.h
include/gromacs/confio.h
include/gromacs/constr.h
include/gromacs/copyrite.h
include/gromacs/coulomb.h
include/gromacs/dihre.h
include/gromacs/disre.h
include/gromacs/do_fit.h
include/gromacs/domdec.h
include/gromacs/domdec_network.h
include/gromacs/ebin.h
include/gromacs/edsam.h
include/gromacs/enxio.h
include/gromacs/ffscanf.h
include/gromacs/fftgrid.h
include/gromacs/filenm.h
include/gromacs/force.h
include/gromacs/futil.h
include/gromacs/gbutil.h
include/gromacs/gmx_ana.h
include/gromacs/gmx_arpack.h
include/gromacs/gmx_blas.h
include/gromacs/gmx_cyclecounter.h
include/gromacs/gmx_fatal.h
include/gromacs/gmx_fft.h
include/gromacs/gmx_lapack.h
include/gromacs/gmx_parallel_3dfft.h
include/gromacs/gmx_random.h
include/gromacs/gmx_system_xdr.h
include/gromacs/gmx_thread.h
include/gromacs/gmx_wallcycle.h
include/gromacs/gmxcomplex.h
include/gromacs/gmxfio.h
include/gromacs/gpp_atomtype.h
include/gromacs/gpp_nextnb.h
include/gromacs/grompp.h
include/gromacs/gstat.h
include/gromacs/index.h
include/gromacs/invblock.h
include/gromacs/macros.h
include/gromacs/magic.h
include/gromacs/main.h
include/gromacs/maths.h
include/gromacs/matio.h
include/gromacs/mdatoms.h
include/gromacs/mdebin.h
include/gromacs/mdrun.h
include/gromacs/mpelogging.h
include/gromacs/mshift.h
include/gromacs/mtop_util.h
include/gromacs/mtxio.h
include/gromacs/mvdata.h
include/gromacs/names.h
include/gromacs/network.h
include/gromacs/nonbonded.h
include/gromacs/nrama.h
include/gromacs/nrjac.h
include/gromacs/nrnb.h
include/gromacs/ns.h
include/gromacs/nsgrid.h
include/gromacs/orires.h
include/gromacs/partdec.h
include/gromacs/pbc.h
include/gromacs/pdbio.h
include/gromacs/pdebug.h
include/gromacs/perf_est.h
include/gromacs/physics.h
include/gromacs/pme.h
include/gromacs/pppm.h
include/gromacs/princ.h
include/gromacs/pull.h
include/gromacs/qmmm.h
include/gromacs/random.h
include/gromacs/rbin.h
include/gromacs/rdgroup.h
include/gromacs/readcomp.h
include/gromacs/readinp.h
include/gromacs/reorder.h
include/gromacs/rmpbc.h
include/gromacs/shellfc.h
include/gromacs/shift.h
include/gromacs/smalloc.h
include/gromacs/sortwater.h
include/gromacs/sparsematrix.h
include/gromacs/split.h
include/gromacs/splitter.h
include/gromacs/statusio.h
include/gromacs/statutil.h
include/gromacs/strdb.h
include/gromacs/string2.h
include/gromacs/struc2.h
include/gromacs/symtab.h
include/gromacs/sysstuff.h
include/gromacs/tags.h
include/gromacs/tgroup.h
include/gromacs/topsort.h
include/gromacs/tpxio.h
include/gromacs/transfer.h
include/gromacs/trnio.h
include/gromacs/txtdump.h
include/gromacs/typedefs.h
include/gromacs/types/atoms.h
include/gromacs/types/block.h
include/gromacs/types/commrec.h
include/gromacs/types/constr.h
include/gromacs/types/energy.h
include/gromacs/types/enums.h
include/gromacs/types/fcdata.h
include/gromacs/types/filenm.h
include/gromacs/types/forcerec.h
include/gromacs/types/graph.h
include/gromacs/types/group.h
include/gromacs/types/idef.h
include/gromacs/types/ifunc.h
include/gromacs/types/inputrec.h
include/gromacs/types/ishift.h
include/gromacs/types/matrix.h
include/gromacs/types/mdatom.h
include/gromacs/types/nblist.h
include/gromacs/types/nbslist.h
include/gromacs/types/nrnb.h
include/gromacs/types/ns.h
include/gromacs/types/nsgrid.h
include/gromacs/types/pbc.h
include/gromacs/types/qmmmrec.h
include/gromacs/types/shellfc.h
include/gromacs/types/simple.h
include/gromacs/types/state.h
include/gromacs/types/symtab.h
include/gromacs/types/topology.h
include/gromacs/types/trx.h
include/gromacs/update.h
include/gromacs/utils.h
include/gromacs/vcm.h
include/gromacs/vec.h
include/gromacs/viewit.h
include/gromacs/vsite.h
include/gromacs/wgms.h
include/gromacs/wman.h
include/gromacs/writeps.h
include/gromacs/xdrf.h
include/gromacs/xtcio.h
include/gromacs/xvgr.h
lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.a
lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.la
lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5
%%MPI%%lib/libgmxana%%SUFFIX_D%%.a
%%MPI%%lib/libgmxana%%SUFFIX_D%%.so
lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.a
lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.la
lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5
lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.a
lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.la
lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5
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%%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/tfe.itp
%%DATADIR%%/top/tip3p.itp
%%DATADIR%%/top/tip4p.gro
%%DATADIR%%/top/tip4p.itp
%%DATADIR%%/top/tip5p.gro
%%DATADIR%%/top/tip5p.itp
%%DATADIR%%/top/urea+h2o.gro
%%DATADIR%%/top/urea.itp
%%DATADIR%%/top/vdwradii.dat
%%DATADIR%%/top/xlateat.dat
%%DATADIR%%/tutor/gmxdemo/cpeptide.pdb
%%DATADIR%%/tutor/gmxdemo/demo
%%DATADIR%%/tutor/methanol/conf.gro
%%DATADIR%%/tutor/methanol/grompp.mdp
%%DATADIR%%/tutor/methanol/index.ndx
%%DATADIR%%/tutor/methanol/methanol.itp
%%DATADIR%%/tutor/methanol/methanol.pdb
%%DATADIR%%/tutor/methanol/topol.top
%%DATADIR%%/tutor/mixed/conf.gro
%%DATADIR%%/tutor/mixed/grompp.mdp
%%DATADIR%%/tutor/mixed/index.ndx
%%DATADIR%%/tutor/mixed/mixed.pdb
%%DATADIR%%/tutor/mixed/topol.top
%%DATADIR%%/tutor/nmr1/conf.gro
%%DATADIR%%/tutor/nmr1/grompp.mdp
%%DATADIR%%/tutor/nmr1/pep.pdb
%%DATADIR%%/tutor/nmr1/topol.top
%%DATADIR%%/tutor/nmr2/conf.gro
%%DATADIR%%/tutor/nmr2/genconf.gcp
%%DATADIR%%/tutor/nmr2/grompp.mdp
%%DATADIR%%/tutor/nmr2/pep.pdb
%%DATADIR%%/tutor/nmr2/topol.top
%%DATADIR%%/tutor/speptide/em.mdp
%%DATADIR%%/tutor/speptide/full.mdp
%%DATADIR%%/tutor/speptide/pr.mdp
%%DATADIR%%/tutor/speptide/speptide.pdb
%%DATADIR%%/tutor/water/conf.gro
%%DATADIR%%/tutor/water/grompp.mdp
%%DATADIR%%/tutor/water/index.ndx
%%DATADIR%%/tutor/water/spc216.pdb
%%DATADIR%%/tutor/water/topol.top
@dirrm %%DATADIR%%/tutor/water
@dirrm %%DATADIR%%/tutor/speptide
@dirrm %%DATADIR%%/tutor/nmr2
@dirrm %%DATADIR%%/tutor/nmr1
@dirrm %%DATADIR%%/tutor/mixed
@dirrm %%DATADIR%%/tutor/methanol
@dirrm %%DATADIR%%/tutor/gmxdemo
@dirrm %%DATADIR%%/tutor
@dirrm %%DATADIR%%/top
@dirrm %%DATADIR%%/template
@dirrm %%DATADIR%%/html/online
@dirrm %%DATADIR%%/html/images
@dirrm %%DATADIR%%/html
@dirrm %%DATADIR%%
@dirrm include/gromacs/types
@dirrm include/gromacs