395 lines
11 KiB
Plaintext
395 lines
11 KiB
Plaintext
bin/alchemy
|
|
bin/analyze
|
|
bin/anneal
|
|
bin/archive
|
|
bin/correlate
|
|
bin/crystal
|
|
bin/diffuse
|
|
bin/distgeom
|
|
bin/document
|
|
bin/dynamic
|
|
bin/gda
|
|
bin/intedit
|
|
bin/intxyz
|
|
bin/minimize
|
|
bin/minirot
|
|
bin/minrigid
|
|
bin/newton
|
|
bin/newtrot
|
|
bin/nucleic
|
|
bin/optimize
|
|
bin/optirot
|
|
bin/optrigid
|
|
bin/path
|
|
bin/pdbxyz
|
|
bin/protein
|
|
bin/pss
|
|
bin/pssrigid
|
|
bin/pssrot
|
|
bin/radial
|
|
bin/saddle
|
|
bin/scan
|
|
bin/sniffer
|
|
bin/spacefill
|
|
bin/spectrum
|
|
bin/superpose
|
|
bin/sybylxyz
|
|
bin/testgrad
|
|
bin/testhess
|
|
bin/testlight
|
|
bin/testrot
|
|
bin/timer
|
|
bin/timerot
|
|
bin/vibrate
|
|
bin/vibrot
|
|
bin/xtalfit
|
|
bin/xtalmin
|
|
bin/xyzedit
|
|
bin/xyzint
|
|
bin/xyzpdb
|
|
bin/xyzsybyl
|
|
share/doc/tinker/README
|
|
share/doc/tinker/announce.txt
|
|
share/doc/tinker/guide.pdf
|
|
share/doc/tinker/guide.ps.gz
|
|
share/doc/tinker/guide.txt
|
|
share/doc/tinker/license.pdf
|
|
share/doc/tinker/license.ps
|
|
share/doc/tinker/license.txt
|
|
share/doc/tinker/logo.pdf
|
|
share/doc/tinker/logo.ps.gz
|
|
share/doc/tinker/summary.pdf
|
|
share/doc/tinker/summary.ps
|
|
share/doc/tinker/summary.txt
|
|
share/examples/tinker/README
|
|
share/examples/tinker/anion.dat
|
|
share/examples/tinker/anion.dyn0
|
|
share/examples/tinker/anion.key
|
|
share/examples/tinker/anion.log
|
|
share/examples/tinker/anion.run
|
|
share/examples/tinker/anion.xyz
|
|
share/examples/tinker/argon.1st
|
|
share/examples/tinker/argon.key
|
|
share/examples/tinker/argon.log
|
|
share/examples/tinker/argon.run
|
|
share/examples/tinker/clean.make
|
|
share/examples/tinker/cluster.dat
|
|
share/examples/tinker/cluster.key
|
|
share/examples/tinker/cluster.log
|
|
share/examples/tinker/cluster.run
|
|
share/examples/tinker/cluster.xyz
|
|
share/examples/tinker/crambin.key
|
|
share/examples/tinker/crambin.log
|
|
share/examples/tinker/crambin.pdb
|
|
share/examples/tinker/crambin.run
|
|
share/examples/tinker/cyclohex.boat
|
|
share/examples/tinker/cyclohex.chair
|
|
share/examples/tinker/cyclohex.key
|
|
share/examples/tinker/cyclohex.log
|
|
share/examples/tinker/cyclohex.run
|
|
share/examples/tinker/enkephalin.dat
|
|
share/examples/tinker/enkephalin.key
|
|
share/examples/tinker/enkephalin.log
|
|
share/examples/tinker/enkephalin.run
|
|
share/examples/tinker/formamide.cell
|
|
share/examples/tinker/formamide.dat
|
|
share/examples/tinker/formamide.key
|
|
share/examples/tinker/formamide.log
|
|
share/examples/tinker/formamide.run
|
|
share/examples/tinker/helix.1st
|
|
share/examples/tinker/helix.key
|
|
share/examples/tinker/helix.log
|
|
share/examples/tinker/helix.run
|
|
share/examples/tinker/salt.cell
|
|
share/examples/tinker/salt.key
|
|
share/examples/tinker/salt.log
|
|
share/examples/tinker/salt.run
|
|
share/tinker/bench/bench-1.key
|
|
share/tinker/bench/bench-1.run
|
|
share/tinker/bench/bench-1.xyz
|
|
share/tinker/bench/bench-2.key
|
|
share/tinker/bench/bench-2.run
|
|
share/tinker/bench/bench-2.xyz
|
|
share/tinker/bench/bench-3.key
|
|
share/tinker/bench/bench-3.run
|
|
share/tinker/bench/bench-3.xyz
|
|
share/tinker/bench/bench-4.dyn0
|
|
share/tinker/bench/bench-4.key
|
|
share/tinker/bench/bench-4.log
|
|
share/tinker/bench/bench-4.run
|
|
share/tinker/bench/bench-4.xyz
|
|
share/tinker/bench/bench-5.dyn0
|
|
share/tinker/bench/bench-5.key
|
|
share/tinker/bench/bench-5.run
|
|
share/tinker/bench/bench-5.xyz
|
|
share/tinker/bench/results-2.3
|
|
share/tinker/bench/results-2.4
|
|
share/tinker/bench/results-2.9
|
|
share/tinker/bench/results-3.1
|
|
share/tinker/bench/results-3.2
|
|
share/tinker/bench/results-3.4
|
|
share/tinker/bench/results-3.5
|
|
share/tinker/bench/results-3.7
|
|
share/tinker/bench/results-3.8
|
|
share/tinker/params/README
|
|
share/tinker/params/amber.prm
|
|
share/tinker/params/amberN.prm
|
|
share/tinker/params/charmm.prm
|
|
share/tinker/params/emr.prm
|
|
share/tinker/params/hoch.prm
|
|
share/tinker/params/mm2.prm
|
|
share/tinker/params/mm3.prm
|
|
share/tinker/params/mm3pro.prm
|
|
share/tinker/params/opls.prm
|
|
share/tinker/params/oplsaa.prm
|
|
share/tinker/params/smooth.prm
|
|
share/tinker/params/smoothaa.prm
|
|
share/tinker/params/tinker.prm
|
|
share/tinker/params/water.prm
|
|
share/tinker/test/README
|
|
share/tinker/test/ala20.key
|
|
share/tinker/test/ala20.xyz
|
|
share/tinker/test/alkane.key
|
|
share/tinker/test/alkane.xyz
|
|
share/tinker/test/arach.int
|
|
share/tinker/test/arach.key
|
|
share/tinker/test/arach.xyz
|
|
share/tinker/test/azulene.int
|
|
share/tinker/test/azulene.key
|
|
share/tinker/test/azulene.xyz
|
|
share/tinker/test/bdna.int
|
|
share/tinker/test/bdna.key
|
|
share/tinker/test/bdna.seq
|
|
share/tinker/test/bdna.xyz
|
|
share/tinker/test/bearing.key
|
|
share/tinker/test/bearing.pdb
|
|
share/tinker/test/bearing.xyz
|
|
share/tinker/test/bearing2.key
|
|
share/tinker/test/bearing2.pdb
|
|
share/tinker/test/bearing2.xyz
|
|
share/tinker/test/benzene.int
|
|
share/tinker/test/benzene.key
|
|
share/tinker/test/benzene.xyz
|
|
share/tinker/test/bowl.int
|
|
share/tinker/test/bowl.key
|
|
share/tinker/test/bowl.xyz
|
|
share/tinker/test/bowl2.key
|
|
share/tinker/test/bowl2.xyz
|
|
share/tinker/test/bowl3.key
|
|
share/tinker/test/bowl3.xyz
|
|
share/tinker/test/butane.int
|
|
share/tinker/test/butane.key
|
|
share/tinker/test/butane.xyz
|
|
share/tinker/test/butane2.int
|
|
share/tinker/test/butane2.key
|
|
share/tinker/test/butane2.xyz
|
|
share/tinker/test/butanes.dyn
|
|
share/tinker/test/butanes.key
|
|
share/tinker/test/butanes.xyz
|
|
share/tinker/test/butanex.key
|
|
share/tinker/test/butanex.xyz
|
|
share/tinker/test/butopls.int
|
|
share/tinker/test/butopls.key
|
|
share/tinker/test/butopls.xyz
|
|
share/tinker/test/butopls2.int
|
|
share/tinker/test/butopls2.key
|
|
share/tinker/test/butopls2.xyz
|
|
share/tinker/test/c5.key
|
|
share/tinker/test/c5.seq
|
|
share/tinker/test/c5.xyz
|
|
share/tinker/test/c7ax.key
|
|
share/tinker/test/c7ax.seq
|
|
share/tinker/test/c7ax.xyz
|
|
share/tinker/test/c7eq.key
|
|
share/tinker/test/c7eq.seq
|
|
share/tinker/test/c7eq.xyz
|
|
share/tinker/test/calmodulin.key
|
|
share/tinker/test/calmodulin.pdb
|
|
share/tinker/test/calmodulin.seq
|
|
share/tinker/test/calmodulin.xyz
|
|
share/tinker/test/cpentene.key
|
|
share/tinker/test/cpentene.xyz
|
|
share/tinker/test/crambin.key
|
|
share/tinker/test/crambin.min
|
|
share/tinker/test/crambin.pdb
|
|
share/tinker/test/crambin.seq
|
|
share/tinker/test/crambin.super
|
|
share/tinker/test/crambin.xyz
|
|
share/tinker/test/crambinx.key
|
|
share/tinker/test/crambinx.ray
|
|
share/tinker/test/crambinx.xyz
|
|
share/tinker/test/crown.int
|
|
share/tinker/test/crown.key
|
|
share/tinker/test/crown.xyz
|
|
share/tinker/test/cychept.int
|
|
share/tinker/test/cychept.key
|
|
share/tinker/test/cychept.xyz
|
|
share/tinker/test/cyclo.int
|
|
share/tinker/test/cyclo.key
|
|
share/tinker/test/cyclo.xyz
|
|
share/tinker/test/cyclo2.int
|
|
share/tinker/test/cyclo2.key
|
|
share/tinker/test/cyclo2.xyz
|
|
share/tinker/test/diene.int
|
|
share/tinker/test/diene.key
|
|
share/tinker/test/diene.xyz
|
|
share/tinker/test/dimethane.key
|
|
share/tinker/test/dimethane.xyz
|
|
share/tinker/test/diwater.key
|
|
share/tinker/test/diwater.lin
|
|
share/tinker/test/diwater.min
|
|
share/tinker/test/diwater.xyz
|
|
share/tinker/test/enkephalin.int
|
|
share/tinker/test/enkephalin.key
|
|
share/tinker/test/enkephalin.make
|
|
share/tinker/test/enkephalin.seq
|
|
share/tinker/test/enkephalin.xyz
|
|
share/tinker/test/ermer.int
|
|
share/tinker/test/ermer.key
|
|
share/tinker/test/ermer.xyz
|
|
share/tinker/test/ester.key
|
|
share/tinker/test/ester.xyz
|
|
share/tinker/test/ethane.int
|
|
share/tinker/test/ethane.key
|
|
share/tinker/test/ethane.xyz
|
|
share/tinker/test/ethanol.int
|
|
share/tinker/test/ethanol.key
|
|
share/tinker/test/ethanol.xyz
|
|
share/tinker/test/ethylene.int
|
|
share/tinker/test/ethylene.key
|
|
share/tinker/test/ethylene.xyz
|
|
share/tinker/test/flane.int
|
|
share/tinker/test/flane.key
|
|
share/tinker/test/flane.xyz
|
|
share/tinker/test/form.key
|
|
share/tinker/test/form.xyz
|
|
share/tinker/test/formbig.key
|
|
share/tinker/test/formbig.xyz
|
|
share/tinker/test/formbox.key
|
|
share/tinker/test/formbox.xyz
|
|
share/tinker/test/furan.int
|
|
share/tinker/test/furan.key
|
|
share/tinker/test/furan.xyz
|
|
share/tinker/test/glucose.key
|
|
share/tinker/test/glucose.xyz
|
|
share/tinker/test/helix.key
|
|
share/tinker/test/helix.xyz
|
|
share/tinker/test/hexane.int
|
|
share/tinker/test/hexane.key
|
|
share/tinker/test/hexane.xyz
|
|
share/tinker/test/hexanes.dyn
|
|
share/tinker/test/hexanes.key
|
|
share/tinker/test/hexanes.run
|
|
share/tinker/test/hexanes.xyz
|
|
share/tinker/test/imidazole.int
|
|
share/tinker/test/imidazole.key
|
|
share/tinker/test/imidazole.xyz
|
|
share/tinker/test/imine.int
|
|
share/tinker/test/imine.key
|
|
share/tinker/test/imine.xyz
|
|
share/tinker/test/lactam.key
|
|
share/tinker/test/lactam.xyz
|
|
share/tinker/test/melittin.key
|
|
share/tinker/test/melittin.pdb
|
|
share/tinker/test/melittin.seq
|
|
share/tinker/test/melittin.xyz
|
|
share/tinker/test/methane.int
|
|
share/tinker/test/methane.key
|
|
share/tinker/test/methane.xyz
|
|
share/tinker/test/methanol.key
|
|
share/tinker/test/methanol.xyz
|
|
share/tinker/test/nacl.key
|
|
share/tinker/test/nacl.xyz
|
|
share/tinker/test/naphthalene.key
|
|
share/tinker/test/naphthalene.xyz
|
|
share/tinker/test/nma.int
|
|
share/tinker/test/nma.key
|
|
share/tinker/test/nma.xyz
|
|
share/tinker/test/nmabox.dyn
|
|
share/tinker/test/nmabox.key
|
|
share/tinker/test/nmabox.xyz
|
|
share/tinker/test/nstilbene.int
|
|
share/tinker/test/nstilbene.key
|
|
share/tinker/test/nstilbene.xyz
|
|
share/tinker/test/octane.int
|
|
share/tinker/test/octane.key
|
|
share/tinker/test/octane.xyz
|
|
share/tinker/test/octane2.int
|
|
share/tinker/test/octane2.key
|
|
share/tinker/test/octane2.xyz
|
|
share/tinker/test/octene.key
|
|
share/tinker/test/octene.xyz
|
|
share/tinker/test/palmitate.key
|
|
share/tinker/test/palmitate.xyz
|
|
share/tinker/test/peptide.int
|
|
share/tinker/test/peptide.key
|
|
share/tinker/test/peptide.make
|
|
share/tinker/test/peptide.min
|
|
share/tinker/test/peptide.pdb
|
|
share/tinker/test/peptide.seq
|
|
share/tinker/test/peptide.xyz
|
|
share/tinker/test/phenanth.key
|
|
share/tinker/test/phenanth.xyz
|
|
share/tinker/test/photo.key
|
|
share/tinker/test/photo.pdb
|
|
share/tinker/test/photo.seq
|
|
share/tinker/test/photo.xyz
|
|
share/tinker/test/propane.key
|
|
share/tinker/test/propane.ray
|
|
share/tinker/test/propane.xyz
|
|
share/tinker/test/propellane.int
|
|
share/tinker/test/propellane.key
|
|
share/tinker/test/propellane.xyz
|
|
share/tinker/test/propyne.key
|
|
share/tinker/test/propyne.xyz
|
|
share/tinker/test/pyridine.int
|
|
share/tinker/test/pyridine.key
|
|
share/tinker/test/pyridine.xyz
|
|
share/tinker/test/pyrrole.int
|
|
share/tinker/test/pyrrole.key
|
|
share/tinker/test/pyrrole.xyz
|
|
share/tinker/test/retinoic.key
|
|
share/tinker/test/retinoic.xyz
|
|
share/tinker/test/sterol.key
|
|
share/tinker/test/sterol.xyz
|
|
share/tinker/test/styrene.int
|
|
share/tinker/test/styrene.key
|
|
share/tinker/test/styrene.xyz
|
|
share/tinker/test/thiadiene.int
|
|
share/tinker/test/thiadiene.key
|
|
share/tinker/test/thiadiene.xyz
|
|
share/tinker/test/thiophene.int
|
|
share/tinker/test/thiophene.key
|
|
share/tinker/test/thiophene.xyz
|
|
share/tinker/test/thr.int
|
|
share/tinker/test/thr.key
|
|
share/tinker/test/thr.xyz
|
|
share/tinker/test/tip5p.key
|
|
share/tinker/test/tip5p.xyz
|
|
share/tinker/test/water.int
|
|
share/tinker/test/water.key
|
|
share/tinker/test/water.xyz
|
|
share/tinker/test/waterbig.key
|
|
share/tinker/test/waterbig.xyz
|
|
share/tinker/test/waterbox.dyn
|
|
share/tinker/test/waterbox.key
|
|
share/tinker/test/waterbox.xyz
|
|
share/tinker/test/waterhuge.key
|
|
share/tinker/test/waterhuge.xyz
|
|
share/tinker/test/wateroct.dyn
|
|
share/tinker/test/wateroct.key
|
|
share/tinker/test/wateroct.xyz
|
|
share/tinker/test/watersmall.dyn
|
|
share/tinker/test/watersmall.key
|
|
share/tinker/test/watersmall.xyz
|
|
share/tinker/test/white.int
|
|
share/tinker/test/white.key
|
|
share/tinker/test/white.xyz
|
|
share/tinker/tinker.txt
|
|
@dirrm share/doc/tinker
|
|
@dirrm share/examples/tinker
|
|
@dirrm share/tinker/bench
|
|
@dirrm share/tinker/params
|
|
@dirrm share/tinker/test
|
|
@dirrm share/tinker
|