Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
0.pdb | 2007-09-12 17:42 | 2.9M | ||
1.pdb | 2007-09-12 17:42 | 2.9M | ||
1SUO.coords.rand | 2007-05-07 17:24 | 3.8M | ||
1SUO.pdb | 2007-09-12 17:30 | 407K | ||
1SUO.topo | 2011-01-10 12:49 | 9.6M | ||
1SUO_apo.coords | 2007-10-05 15:39 | 1.9M | ||
1SUO_apo.pdb | 2007-10-05 15:23 | 406K | ||
1SUO_apo.topo | 2007-10-05 15:39 | 9.6M | ||
1SUO_apo_invacuo.coords | 2007-10-05 15:24 | 269K | ||
1SUO_apo_invacuo.topo | 2007-10-05 15:24 | 2.9M | ||
1SUO_invacuo.coords | 2011-01-10 12:50 | 270K | ||
1SUO_invacuo.topo | 2011-01-10 12:50 | 2.9M | ||
2.pdb | 2007-05-08 17:16 | 634K | ||
10.pdb | 2007-09-12 17:42 | 2.9M | ||
ANTECHAMBER_AC.AC | 2007-05-07 16:33 | 2.0K | ||
ANTECHAMBER_AC.AC0 | 2007-05-07 16:33 | 2.0K | ||
ANTECHAMBER_BOND_TYP..> | 2007-05-07 16:33 | 2.0K | ||
ANTECHAMBER_BOND_TYP..> | 2007-05-07 16:33 | 2.0K | ||
ATOMTYPE.INF | 2007-05-07 16:33 | 5.4K | ||
CYP.off | 2007-05-07 16:29 | 2.2K | ||
SUO_a.o903501 | 2009-04-19 19:54 | 1.7K | ||
SUO_a2.o903502 | 2009-04-19 19:09 | 1.7K | ||
aa.coords | 2007-05-07 17:02 | 270K | ||
aa.topo | 2007-05-07 17:02 | 2.9M | ||
angle/ | 2018-07-03 16:38 | - | ||
angle2/ | 2018-07-03 16:38 | - | ||
average.in | 2007-09-21 11:43 | 7.4K | ||
avgpdb/ | 2007-09-21 11:56 | - | ||
buildit | 2011-01-10 12:50 | 596 | ||
buildit_apo | 2007-10-05 15:23 | 610 | ||
buildit_heme_cpz | 2007-05-08 17:58 | 320 | ||
cm5-ac.mol2 | 2007-05-07 16:29 | 7.5K | ||
cm5.mol2 | 2007-05-07 16:29 | 8.2K | ||
cpz-ac.mol2 | 2007-05-07 16:33 | 1.9K | ||
cpz.mol2 | 2007-05-07 16:58 | 2.1K | ||
ener.1 | 2007-05-10 16:34 | 276K | ||
ener.2 | 2007-05-11 02:34 | 294K | ||
ener.3 | 2007-05-12 04:56 | 319K | ||
ener.4 | 2007-05-12 16:28 | 313K | ||
ener.5 | 2007-05-13 04:29 | 312K | ||
ener.6 | 2007-05-13 15:46 | 315K | ||
ener.7 | 2007-05-13 23:07 | 303K | ||
ener.8 | 2007-05-14 16:46 | 314K | ||
ener.9 | 2007-05-15 03:38 | 316K | ||
ener.10 | 2007-05-18 09:18 | 1.1M | ||
ener.11 | 2007-05-20 23:44 | 1.5M | ||
ener.12 | 2007-05-23 17:50 | 1.4M | ||
ener.13 | 2007-05-26 21:30 | 1.4M | ||
ener.14 | 2007-05-29 20:35 | 1.4M | ||
ener.15 | 2007-06-02 04:45 | 187K | ||
ener.16 | 2007-06-04 07:47 | 1.3M | ||
ener.17 | 2007-06-05 23:03 | 1.4M | ||
ener.18 | 2007-06-11 04:57 | 1.2M | ||
ener.19 | 2007-06-14 21:46 | 1.3M | ||
ener.20 | 2007-06-18 01:51 | 1.4M | ||
ener.21 | 2007-06-21 09:36 | 1.4M | ||
ener.22 | 2007-06-22 17:22 | 1.4M | ||
ener.23 | 2007-06-24 02:04 | 1.4M | ||
ener.24 | 2007-06-26 15:45 | 1.4M | ||
ener.25 | 2007-06-28 11:44 | 1.4M | ||
ener.26 | 2007-07-01 13:33 | 1.4M | ||
ener.27 | 2007-07-05 07:42 | 1.4M | ||
ener.28 | 2007-07-10 11:18 | 1.4M | ||
ener.29 | 2007-07-13 06:52 | 1.4M | ||
ener.30 | 2007-07-15 01:29 | 1.4M | ||
ener.31 | 2007-07-16 20:12 | 1.4M | ||
ener.32 | 2007-07-24 20:36 | 1.4M | ||
ener.33 | 2007-07-26 19:50 | 1.4M | ||
ener.34 | 2007-08-01 18:29 | 1.2M | ||
ener.35 | 2007-08-04 19:49 | 1.3M | ||
ener.36 | 2007-08-07 05:07 | 1.4M | ||
ener.37 | 2007-08-13 10:42 | 1.4M | ||
ener.38 | 2007-08-19 06:12 | 1.4M | ||
ener.39 | 2007-08-25 07:52 | 1.4M | ||
ener.40 | 2007-08-31 04:10 | 1.4M | ||
ener.41 | 2007-09-03 05:21 | 1.4M | ||
ener.42 | 2007-09-04 18:36 | 1.4M | ||
ener.43 | 2007-09-07 07:55 | 1.3M | ||
ener.44 | 2007-09-09 22:14 | 1.4M | ||
ener.45 | 2007-09-11 20:30 | 1.4M | ||
ener.46 | 2007-09-13 20:08 | 1.4M | ||
ener.47 | 2007-09-15 15:40 | 1.4M | ||
ener.48 | 2007-09-18 15:33 | 1.4M | ||
ener.49 | 2007-09-19 21:49 | 1.4M | ||
ener.51 | 2007-09-29 02:30 | 1.4M | ||
ener.52 | 2007-10-01 17:34 | 1.4M | ||
eq05.ene | 2007-05-10 05:58 | 367K | ||
eq05.out | 2007-05-10 05:58 | 443K | ||
eq05.rst | 2007-05-10 05:58 | 3.8M | ||
eq05.trj | 2007-05-10 05:58 | 628M | ||
eq1.ene | 2007-05-09 20:28 | 37K | ||
eq1.out | 2007-05-09 20:28 | 57K | ||
eq1.rst | 2007-05-09 20:28 | 3.8M | ||
eq1.trj | 2007-05-09 20:28 | 63M | ||
eq2.ene | 2007-05-09 19:48 | 37K | ||
eq2.out | 2007-05-09 19:48 | 57K | ||
eq2.rst | 2007-05-09 19:48 | 3.8M | ||
eq2.trj | 2007-05-09 19:48 | 63M | ||
eq3.ene | 2007-05-09 19:08 | 37K | ||
eq3.out | 2007-05-09 19:08 | 57K | ||
eq3.rst | 2007-05-09 19:08 | 3.8M | ||
eq3.trj | 2007-05-09 19:08 | 63M | ||
eq4.ene | 2007-05-09 18:27 | 37K | ||
eq4.out | 2007-05-09 18:27 | 57K | ||
eq4.rst | 2007-05-09 18:27 | 3.8M | ||
eq4.trj | 2007-05-09 18:27 | 63M | ||
eq5.ene | 2007-05-09 17:48 | 37K | ||
eq5.out | 2007-05-09 17:48 | 57K | ||
eq5.rst | 2007-05-09 17:48 | 3.8M | ||
eq5.trj | 2007-05-09 17:48 | 63M | ||
frcmod_smith_dang | 2007-05-07 16:29 | 466 | ||
gaff.dat | 2007-05-07 17:02 | 316K | ||
heat.ene | 2007-05-09 17:07 | 74K | ||
heat.out | 2007-05-09 17:07 | 84K | ||
heat.rst | 2007-05-09 17:07 | 3.8M | ||
heat.trj | 2007-05-09 17:07 | 126M | ||
heme.off | 2007-05-07 16:29 | 10K | ||
heme_cpz.coords | 2011-01-10 12:49 | 3.3K | ||
heme_cpz.pdb | 2007-05-08 17:58 | 4.9K | ||
heme_cpz.topo | 2011-01-10 12:49 | 48K | ||
hemes3.frcmod | 2007-05-07 16:29 | 9.4K | ||
inputs/ | 2007-10-08 14:44 | - | ||
leap.log | 2011-01-10 12:52 | 497K | ||
mdinfo | 2007-10-01 17:34 | 794 | ||
mdout | 2007-05-08 19:11 | 82K | ||
mdout.1 | 2007-05-10 16:34 | 332K | ||
mdout.2 | 2007-05-11 02:34 | 427K | ||
mdout.3 | 2007-05-12 04:56 | 463K | ||
mdout.4 | 2007-05-12 16:28 | 454K | ||
mdout.5 | 2007-05-13 04:29 | 453K | ||
mdout.6 | 2007-05-13 15:46 | 457K | ||
mdout.7 | 2007-05-13 23:07 | 440K | ||
mdout.8 | 2007-05-14 16:46 | 456K | ||
mdout.9 | 2007-05-15 03:38 | 458K | ||
mdout.10 | 2007-05-18 09:18 | 1.6M | ||
mdout.11 | 2007-05-20 23:44 | 2.1M | ||
mdout.12 | 2007-05-23 17:50 | 2.0M | ||
mdout.13 | 2007-05-26 21:30 | 2.1M | ||
mdout.14 | 2007-05-29 20:35 | 2.0M | ||
mdout.15 | 2007-06-02 04:45 | 274K | ||
mdout.16 | 2007-06-04 07:48 | 1.9M | ||
mdout.17 | 2007-06-05 23:03 | 2.1M | ||
mdout.18 | 2007-06-11 04:57 | 1.8M | ||
mdout.19 | 2007-06-14 21:46 | 1.8M | ||
mdout.20 | 2007-06-18 01:51 | 2.0M | ||
mdout.21 | 2007-06-21 09:36 | 2.1M | ||
mdout.22 | 2007-06-22 17:22 | 2.1M | ||
mdout.23 | 2007-06-24 02:04 | 2.0M | ||
mdout.24 | 2007-06-26 15:45 | 2.1M | ||
mdout.25 | 2007-06-28 11:44 | 2.1M | ||
mdout.26 | 2007-07-01 13:33 | 2.1M | ||
mdout.27 | 2007-07-05 07:42 | 2.0M | ||
mdout.28 | 2007-07-10 11:18 | 2.1M | ||
mdout.29 | 2007-07-13 06:52 | 2.1M | ||
mdout.30 | 2007-07-15 01:29 | 2.1M | ||
mdout.31 | 2007-07-16 20:12 | 2.0M | ||
mdout.32 | 2007-07-24 20:36 | 2.1M | ||
mdout.33 | 2007-07-26 19:50 | 2.0M | ||
mdout.34 | 2007-08-01 18:29 | 1.8M | ||
mdout.35 | 2007-08-04 19:49 | 1.9M | ||
mdout.36 | 2007-08-07 05:07 | 2.0M | ||
mdout.37 | 2007-08-13 10:42 | 2.0M | ||
mdout.38 | 2007-08-19 06:12 | 2.0M | ||
mdout.39 | 2007-08-25 07:52 | 2.0M | ||
mdout.40 | 2007-08-31 04:10 | 2.0M | ||
mdout.41 | 2007-09-03 05:21 | 2.1M | ||
mdout.42 | 2007-09-04 18:36 | 2.0M | ||
mdout.43 | 2007-09-07 07:55 | 1.9M | ||
mdout.44 | 2007-09-09 22:14 | 2.0M | ||
mdout.45 | 2007-09-11 20:30 | 2.0M | ||
mdout.46 | 2007-09-13 20:08 | 2.0M | ||
mdout.47 | 2007-09-15 15:40 | 1.7M | ||
mdout.48 | 2007-09-18 15:33 | 2.1M | ||
mdout.49 | 2007-09-19 21:49 | 2.0M | ||
mdout.51 | 2007-09-29 02:30 | 2.0M | ||
mdout.52 | 2007-10-01 17:34 | 2.0M | ||
min.in | 2007-05-08 19:06 | 510 | ||
min.pdb | 2007-05-08 19:14 | 5.0K | ||
min.rst | 2007-05-08 19:11 | 3.3K | ||
mini.out | 2007-05-08 20:25 | 23K | ||
mini.rst | 2007-05-08 20:25 | 1.9M | ||
mini1.out | 2007-05-09 19:49 | 23K | ||
mini1.rst | 2007-05-09 19:49 | 1.9M | ||
mini2.out | 2007-05-09 19:10 | 23K | ||
mini2.pdb | 2007-05-08 17:27 | 2.9M | ||
mini2.rst | 2007-05-09 19:10 | 1.9M | ||
mini3.out | 2007-05-09 18:29 | 23K | ||
mini3.rst | 2007-05-09 18:29 | 1.9M | ||
mini4.out | 2007-05-09 17:49 | 23K | ||
mini4.rst | 2007-05-09 17:49 | 1.9M | ||
mini5.out | 2007-05-09 17:09 | 23K | ||
mini5.rst | 2007-05-09 17:09 | 1.9M | ||
out.e478995 | 2007-09-29 02:31 | 210 | ||
out.e484017 | 2007-10-01 17:34 | 5.8K | ||
out.o478995 | 2007-09-29 02:31 | 4.5K | ||
out.o484017 | 2007-10-01 17:35 | 4.5K | ||
prmtop | 2011-01-10 12:49 | 9.6M | ||
profile_mpi | 2007-09-18 15:33 | 71K | ||
restrt | 2007-05-08 19:07 | 3.3K | ||
restrt.0 | 2007-05-10 09:28 | 3.8M | ||
restrt.1 | 2007-05-10 16:34 | 3.8M | ||
restrt.2 | 2007-05-11 02:34 | 3.8M | ||
restrt.3 | 2007-05-12 04:56 | 3.8M | ||
restrt.4 | 2007-05-12 16:28 | 3.8M | ||
restrt.5 | 2007-05-13 04:29 | 3.8M | ||
restrt.6 | 2007-05-13 15:46 | 3.8M | ||
restrt.7 | 2007-05-13 23:07 | 3.8M | ||
restrt.8 | 2007-05-14 16:46 | 3.8M | ||
restrt.9 | 2007-05-15 03:38 | 3.8M | ||
restrt.10 | 2007-05-18 09:18 | 3.8M | ||
restrt.11 | 2007-05-20 23:44 | 3.8M | ||
restrt.12 | 2007-05-23 17:50 | 3.8M | ||
restrt.13 | 2007-05-26 21:30 | 3.8M | ||
restrt.14 | 2007-05-29 20:35 | 3.8M | ||
restrt.15 | 2007-06-02 04:45 | 3.8M | ||
restrt.16 | 2007-06-04 07:48 | 3.8M | ||
restrt.17 | 2007-06-05 23:03 | 3.8M | ||
restrt.18 | 2007-06-11 04:57 | 3.8M | ||
restrt.19 | 2007-06-14 21:46 | 3.8M | ||
restrt.20 | 2007-06-18 01:51 | 3.8M | ||
restrt.21 | 2007-06-21 09:36 | 3.8M | ||
restrt.22 | 2007-06-22 17:22 | 3.8M | ||
restrt.23 | 2007-06-24 02:04 | 3.8M | ||
restrt.24 | 2007-06-26 15:45 | 3.8M | ||
restrt.25 | 2007-06-28 11:44 | 3.8M | ||
restrt.26 | 2007-07-01 13:33 | 3.8M | ||
restrt.27 | 2007-07-05 07:42 | 3.8M | ||
restrt.28 | 2007-07-10 11:18 | 3.8M | ||
restrt.29 | 2007-07-13 06:52 | 3.8M | ||
restrt.30 | 2007-07-15 01:29 | 3.8M | ||
restrt.31 | 2007-07-16 20:12 | 3.8M | ||
restrt.32 | 2007-07-24 20:36 | 3.8M | ||
restrt.33 | 2007-07-26 19:50 | 3.8M | ||
restrt.34 | 2007-08-01 18:29 | 3.8M | ||
restrt.35 | 2007-08-04 19:49 | 3.8M | ||
restrt.36 | 2007-08-07 05:07 | 3.8M | ||
restrt.37 | 2007-08-13 10:42 | 3.8M | ||
restrt.38 | 2007-08-19 06:12 | 3.8M | ||
restrt.39 | 2007-08-25 07:52 | 3.8M | ||
restrt.40 | 2007-08-31 04:10 | 3.8M | ||
restrt.41 | 2007-09-03 05:21 | 3.8M | ||
restrt.42 | 2007-09-04 18:36 | 3.8M | ||
restrt.43 | 2007-09-07 07:55 | 3.8M | ||
restrt.44 | 2007-09-09 22:14 | 3.8M | ||
restrt.45 | 2007-09-11 20:30 | 3.8M | ||
restrt.46 | 2007-09-13 20:08 | 3.8M | ||
restrt.47 | 2007-09-15 15:40 | 3.8M | ||
restrt.48 | 2007-09-18 15:33 | 3.8M | ||
restrt.49 | 2007-09-19 21:49 | 3.8M | ||
restrt.50 | 2007-09-24 02:32 | 3.8M | ||
restrt.51 | 2007-09-29 02:30 | 3.8M | ||
restrt.52 | 2007-10-01 17:34 | 3.8M | ||
rms | 2007-09-24 04:12 | 1.5M | ||
rms-all | 2007-09-24 04:12 | 1.5M | ||
runit | 2007-09-30 10:23 | 342 | ||
runit.0 | 2007-05-14 21:38 | 509 | ||
runit.9 | 2007-05-15 17:41 | 340 | ||
runit.10 | 2007-05-15 17:41 | 341 | ||
runit.equil | 2007-05-09 22:13 | 2.0K | ||
strip.in | 2007-09-23 14:26 | 8.2K | ||
strip.out | 2007-09-24 04:12 | 134K | ||
tmi-ac.mol2 | 2007-05-07 16:29 | 4.3K | ||
tmi.mol2 | 2007-05-07 16:29 | 4.7K | ||
tmp.pdb | 2007-09-12 17:37 | 495K | ||
two_tmi.pdb | 2007-05-08 17:10 | 3.2K | ||