Archive "Tinker_3-9.zip"
Path: /apps/science/chem/Tinker_3-9.zip
File size: 13.7 MB
MIME-type: application/zip
Files in archive: 336
Total size: 32.47 MB
Size in archive: 13.66 MB
Compression: 42%
bin/
bin/alchemy.exe (545.61 KB)
bin/anneal.exe (627.61 KB)
bin/correlate.exe (85.87 KB)
bin/diffuse.exe (146.98 KB)
bin/gda.exe (1009.22 KB)
bin/minirot.exe (614.41 KB)
bin/newtrot.exe (624.78 KB)
bin/nucleic.exe (526.54 KB)
bin/optimize.exe (602.96 KB)
bin/optirot.exe (613.4 KB)
bin/optrigid.exe (608.09 KB)
bin/path.exe (610.44 KB)
bin/pdbxyz.exe (210.55 KB)
bin/scan.exe (1.01 MB)
bin/sybylxyz.exe (93.72 KB)
bin/timer.exe (983.15 KB)
bin/timerot.exe (735.94 KB)
bin/vibrate.exe (695.28 KB)
bin/xyzpdb.exe (169.79 KB)
bin/xyzsybyl.exe (96.31 KB)
bin/analyze.exe (796.13 KB)
bin/archive.exe (104.26 KB)
bin/crystal.exe (161.97 KB)
bin/distgeom.exe (201.52 KB)
bin/document.exe (165.46 KB)
bin/dynamic.exe (632.57 KB)
bin/intedit.exe (152.27 KB)
bin/minimize.exe (604.02 KB)
bin/minrigid.exe (609.18 KB)
bin/monte.exe (886.83 KB)
bin/newton.exe (872.36 KB)
bin/polarize.exe (304.92 KB)
bin/protein.exe (201.13 KB)
bin/pss.exe (1.01 MB)
bin/pssrot.exe (759.79 KB)
bin/radial.exe (103.47 KB)
bin/saddle.exe (627.78 KB)
bin/sniffer.exe (597.41 KB)
bin/spacefill.exe (189.92 KB)
bin/spectrum.exe (86.13 KB)
bin/superpose.exe (154.46 KB)
bin/testgrad.exe (733.17 KB)
bin/testhess.exe (990.88 KB)
bin/testlight.exe (426.89 KB)
bin/testrot.exe (740.75 KB)
bin/vibrot.exe (610.32 KB)
bin/xtalfit.exe (555.59 KB)
bin/xtalmin.exe (1014.05 KB)
bin/xyzedit.exe (173.34 KB)
bin/xyzint.exe (105.82 KB)
doc/
doc/logo.pdf (181.01 KB)
doc/summary.pdf (11.83 KB)
doc/summary.txt (5.78 KB)
doc/guide.pdf (498.55 KB)
doc/guide.txt (437.62 KB)
doc/license.pdf (8.63 KB)
doc/license.txt (2.63 KB)
params/
params/amber.prm (184.41 KB)
params/mm2.prm (124.45 KB)
params/README (4.14 KB)
params/smooth.prm (125.4 KB)
params/smoothaa.prm (83.13 KB)
params/water.prm (3.89 KB)
params/charmm.prm (132.8 KB)
params/hoch.prm (2.31 KB)
params/mm3.prm (248.19 KB)
params/mm3pro.prm (66 KB)
params/opls.prm (126.38 KB)
params/oplsaa.prm (83.17 KB)
test/
test/ala20.key (32 B)
test/ala20.xyz (2.61 KB)
test/alkane.key (54 B)
test/azulene.key (80 B)
test/bdna.int (54.01 KB)
test/bdna.key (56 B)
test/bdna.xyz (49.58 KB)
test/bearing2.xyz (199.24 KB)
test/benzene.int (780 B)
test/benzene.key (57 B)
test/bowl2.key (91 B)
test/bowl2.xyz (2.01 KB)
test/butane.key (29 B)
test/butane.xyz (949 B)
test/butanes.xyz (44.57 KB)
test/butopls.int (211 B)
test/butopls.xyz (289 B)
test/butopls2.int (209 B)
test/butopls2.key (31 B)
test/butopls2.xyz (287 B)
test/c5.key (39 B)
test/calmodulin.key (38 B)
test/calmodulin.pdb (86.62 KB)
test/calmodulin.seq (712 B)
test/README (466 B)
test/calmodulin.xyz (146.08 KB)
test/copper.key (536 B)
test/cpentene.key (35 B)
test/cpentene.xyz (879 B)
test/crambin.key (448 B)
test/crambin.seq (232 B)
test/crambin.xyz (41.56 KB)
test/crown.int (3.72 KB)
test/crown.key (29 B)
test/crown.xyz (3.5 KB)
test/cyclo2.int (1.21 KB)
test/cyclo2.key (41 B)
test/cyclo2.xyz (1.21 KB)
test/dang.key (1.82 KB)
test/diamond.key (169 B)
test/diene.int (624 B)
test/dimethane.key (111 B)
test/dimethane.xyz (15.05 KB)
test/diwater.key (34 B)
test/diwater.lin (399 B)
test/enkephalin.key (350 B)
test/enkephalin.make (194 B)
test/enkephalin.seq (32 B)
test/ermer.int (2.11 KB)
test/ermer.xyz (2.03 KB)
test/ethane.key (48 B)
test/ethanol.xyz (598 B)
test/ethylene.key (60 B)
test/ethylene.xyz (401 B)
test/form.xyz (1.55 KB)
test/formbig.key (1.86 KB)
test/formbox.dyn (185.54 KB)
test/furan.int (634 B)
test/glucose.key (65 B)
test/glucose.xyz (1.6 KB)
test/graphite.key (377 B)
test/helix.key (156 B)
test/helix.xyz (7.77 KB)
test/heme.key (39 B)
test/hexane.int (333 B)
test/hexane.key (205 B)
test/hexane.xyz (399 B)
test/hexanes.dyn (494.76 KB)
test/hexanes.xyz (100.19 KB)
test/hexanex.xyz (100.19 KB)
test/imidazole.int (638 B)
test/imidazole.key (406 B)
test/imine.xyz (404 B)
test/lactam.key (28 B)
test/lactam.xyz (1.63 KB)
test/lipid.key (31 B)
test/melittin.key (38 B)
test/melittin.xyz (28.06 KB)
test/methane.int (342 B)
test/methanol.key (95 B)
test/naphthalene.int (1.2 KB)
test/naphthalene.xyz (1.19 KB)
test/nitrogen.dyn (41.28 KB)
test/nstilbene.int (1.78 KB)
test/nstilbene.key (94 B)
test/nstilbene.xyz (1.73 KB)
test/octane.int (1.73 KB)
test/octane.xyz (1.68 KB)
test/octane2.int (1.73 KB)
test/octene.key (28 B)
test/octene.xyz (1.48 KB)
test/palmitate.key (36 B)
test/peptide.seq (104 B)
test/peptide.xyz (21.25 KB)
test/phenanth.key (136 B)
test/propane.key (160 B)
test/propellane.int (961 B)
test/propellane.key (143 B)
test/propellane.xyz (975 B)
test/propyne.key (105 B)
test/propyne.xyz (466 B)
test/pyridine.int (781 B)
test/pyridine.key (66 B)
test/pyrrole.xyz (676 B)
test/skunk.xyz (1.07 KB)
test/sterol.xyz (4.86 KB)
test/thiophene.key (60 B)
test/thiophene.xyz (612 B)
test/thr.key (35 B)
test/thr.xyz (1.69 KB)
test/tip3p.key (750 B)
test/tip3p.xyz (398 B)
test/waterbox.xyz (90.88 KB)
test/waterhuge.key (870 B)
test/watersmall.key (704 B)
test/watersmall.xyz (39.29 KB)
test/watertiny.xyz (4.96 KB)
test/white.key (43 B)
test/white.xyz (1.69 KB)
test/alkane.xyz (7.69 KB)
test/arach.int (3.71 KB)
test/arach.key (36 B)
test/arach.xyz (3.49 KB)
test/azulene.int (1.2 KB)
test/azulene.xyz (1.19 KB)
test/bdna.make (96 B)
test/bdna.seq (121 B)
test/bearing.key (41 B)
test/bearing.xyz (16.8 KB)
test/bearing2.key (41 B)
test/benzene.xyz (808 B)
test/bowl.int (2.09 KB)
test/bowl.key (91 B)
test/bowl.xyz (2.01 KB)
test/bowl3.key (103 B)
test/bowl3.xyz (2.01 KB)
test/bucky.int (4.55 KB)
test/bucky.key (60 B)
test/bucky.xyz (4.26 KB)
test/butane.int (931 B)
test/butane2.int (929 B)
test/butane2.key (29 B)
test/butane2.xyz (947 B)
test/butanes.dyn (216.38 KB)
test/butanes.key (249 B)
test/butanex.key (217 B)
test/butanex.xyz (12.78 KB)
test/butopls.key (30 B)
test/c5.seq (24 B)
test/c5.xyz (1.45 KB)
test/c7a.key (39 B)
test/c7a.seq (24 B)
test/c7a.xyz (1.46 KB)
test/c7e.key (39 B)
test/c7e.seq (24 B)
test/c7e.xyz (1.46 KB)
test/copper.xyz (2.42 KB)
test/crambin.pdb (91.02 KB)
test/crambin.super (614 B)
test/crambinx.key (422 B)
test/crambinx.ray (85.84 KB)
test/crambinx.xyz (85.84 KB)
test/cychept.int (3.51 KB)
test/cychept.key (79 B)
test/cychept.xyz (3.31 KB)
test/cyclo.int (1.21 KB)
test/cyclo.key (49 B)
test/cyclo.xyz (1.2 KB)
test/dang.xyz (535 B)
test/diamond.xyz (39.02 KB)
test/diene.key (64 B)
test/diene.xyz (666 B)
test/diwater.xyz (399 B)
test/enkephalin.int (5.23 KB)
test/enkephalin.xyz (4.89 KB)
test/ermer.key (109 B)
test/ester.key (60 B)
test/ester.xyz (737 B)
test/ethane.int (477 B)
test/ethane.xyz (531 B)
test/ethanol.int (550 B)
test/ethanol.key (35 B)
test/ethylene.int (335 B)
test/flane.int (487 B)
test/flane.key (28 B)
test/flane.xyz (541 B)
test/form.key (1.86 KB)
test/formbig.xyz (54.05 KB)
test/formbox.key (370 B)
test/formbox.xyz (37.55 KB)
test/furan.key (190 B)
test/furan.xyz (674 B)
test/graphite.xyz (20.27 KB)
test/helix.dyn (10.11 KB)
test/heme.xyz (4.82 KB)
test/hexanes.key (594 B)
test/hexanes.run (34 B)
test/imidazole.xyz (678 B)
test/imine.int (338 B)
test/imine.key (60 B)
test/lipid.xyz (8.63 KB)
test/melittin.pdb (34.82 KB)
test/melittin.seq (128 B)
test/membrane.key (171 B)
test/membrane.xyz (557.21 KB)
test/methane.key (35 B)
test/methane.xyz (334 B)
test/methanol.xyz (203 B)
test/nacl.key (451 B)
test/nacl.xyz (481 B)
test/naphthalene.key (69 B)
test/nitrogen.key (1.54 KB)
test/nitrogen.xyz (12.48 KB)
test/nma.int (776 B)
test/nma.key (34 B)
test/nma.xyz (806 B)
test/nmabox.dyn (463.28 KB)
test/nmabox.key (178 B)
test/nmabox.xyz (95.27 KB)
test/octane.key (28 B)
test/octane2.key (28 B)
test/octane2.xyz (1.68 KB)
test/palmitate.int (3.35 KB)
test/palmitate.xyz (3.16 KB)
test/peptide.int (23.08 KB)
test/peptide.key (68 B)
test/peptide.make (437 B)
test/peptide.pdb (17.69 KB)
test/phenanth.xyz (1.99 KB)
test/pol3.key (1.28 KB)
test/pol3.xyz (397 B)
test/propane.ray (2.83 KB)
test/propane.xyz (2.83 KB)
test/pyridine.xyz (809 B)
test/pyrrole.int (636 B)
test/pyrrole.key (66 B)
test/retinoic.key (231 B)
test/retinoic.xyz (3.24 KB)
test/skunk.key (30 B)
test/sterol.key (28 B)
test/styrene.int (1.04 KB)
test/styrene.key (67 B)
test/styrene.xyz (1.05 KB)
test/thiadiene.int (644 B)
test/thiadiene.key (58 B)
test/thiadiene.xyz (684 B)
test/thiophene.int (566 B)
test/thr.int (1.74 KB)
test/tip4p.key (965 B)
test/tip4p.xyz (530 B)
test/tip5p.key (1.25 KB)
test/tip5p.xyz (662 B)
test/water.int (116 B)
test/water.key (203 B)
test/water.xyz (200 B)
test/waterbig.key (870 B)
test/waterbig.xyz (290.69 KB)
test/waterbox.dyn (231.83 KB)
test/waterbox.key (886 B)
test/waterhuge.xyz (726.62 KB)
test/wateroct.dyn (338.3 KB)
test/wateroct.key (947 B)
test/wateroct.xyz (66.36 KB)
test/watersmall.dyn (200.36 KB)
test/watertiny.dyn (12.88 KB)
test/watertiny.key (908 B)
test/white.int (1.74 KB)