Index of /heme/2BDM/2BDM_cpz

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory   -  
[ ]2BDM_cpz.coords 2007-05-10 16:33 1.8M 
[ ]2BDM_cpz.coords.rand 2007-05-10 23:37 3.6M 
[ ]2BDM_cpz.o10933 2008-05-07 20:31 219  
[ ]2BDM_cpz.o11006 2008-05-09 04:59 494  
[ ]2BDM_cpz.o11101 2008-05-10 04:15 494  
[ ]2BDM_cpz.o13013 2008-05-23 02:52 920  
[ ]2BDM_cpz.pdb 2007-05-10 14:27 584K 
[ ]2BDM_cpz.topo 2007-05-10 23:37 9.3M 
[ ]2BDM_cpz_vac.coords 2007-05-10 14:27 270K 
[ ]2BDM_cpz_vac.min.out 2007-05-10 14:38 26K 
[TXT]2BDM_cpz_vac.min.rst 2007-05-10 14:38 270K 
[ ]2BDM_cpz_vac.topo 2007-05-10 14:27 2.9M 
[ ]ATOMTYPE.INF 2007-05-10 14:25 5.4K 
[ ]BDM_ca.o903508 2009-04-19 22:54 1.2K 
[ ]BDM_ca2.o903509 2009-04-19 20:02 1.7K 
[ ]CYP.off 2007-05-10 15:52 2.2K 
[DIR]angle/ 2018-07-03 16:38 -  
[DIR]angle2/ 2018-07-03 16:38 -  
[DIR]avgpdb/ 2007-09-22 05:40 -  
[ ]buildit 2007-05-10 16:01 625  
[ ]buildit_heme_cpz 2007-05-10 14:25 320  
[ ]cm5-ac.mol2 2007-05-10 14:25 7.5K 
[ ]cm5.mol2 2007-05-10 14:25 8.2K 
[ ]core.20954 2007-09-24 11:50 51M 
[ ]cpz-ac.mol2 2007-05-10 14:25 1.9K 
[ ]cpz.mol2 2007-05-10 14:25 2.1K 
[ ]ener.1 2007-05-13 06:36 439K 
[ ]ener.2 2007-05-13 17:51 420K 
[ ]ener.3 2007-05-14 05:50 430K 
[ ]ener.4 2007-05-14 18:23 407K 
[ ]ener.5 2007-05-19 14:17 1.1M 
[ ]ener.6 2007-05-23 17:50 1.4M 
[ ]ener.7 2007-05-26 22:10 1.5M 
[ ]ener.8 2007-05-29 20:36 1.5M 
[ ]ener.9 2007-06-03 01:42 1.3M 
[ ]ener.10 2007-06-07 07:14 1.4M 
[ ]ener.11 2007-06-11 04:57 1.4M 
[ ]ener.12 2007-06-14 21:46 1.4M 
[ ]ener.13 2007-06-18 02:15 1.5M 
[ ]ener.14 2007-06-21 09:49 1.5M 
[ ]ener.15 2007-06-22 17:47 1.5M 
[ ]ener.16 2007-06-24 02:05 1.5M 
[ ]ener.17 2007-06-26 16:01 1.5M 
[ ]ener.18 2007-06-28 06:28 1.1M 
[ ]ener.19 2007-07-01 13:43 1.5M 
[ ]ener.20 2007-07-05 07:42 1.5M 
[ ]ener.21 2007-07-12 02:08 1.5M 
[ ]ener.22 2007-07-15 01:49 1.5M 
[ ]ener.23 2007-07-16 20:11 1.4M 
[ ]ener.24 2007-07-24 20:37 1.5M 
[ ]ener.25 2007-07-26 19:50 1.4M 
[ ]ener.26 2007-08-01 18:22 1.4M 
[ ]ener.27 2007-08-04 19:46 1.4M 
[ ]ener.28 2007-08-07 05:07 1.4M 
[ ]ener.29 2007-08-13 10:26 1.4M 
[ ]ener.30 2007-08-20 08:05 1.4M 
[ ]ener.31 2007-08-26 20:58 1.3M 
[ ]ener.32 2007-09-04 18:37 1.4M 
[ ]ener.33 2007-09-07 08:05 1.4M 
[ ]ener.34 2007-09-09 22:14 1.3M 
[ ]ener.35 2007-09-11 20:30 1.5M 
[ ]ener.36 2007-09-13 20:08 1.4M 
[ ]ener.37 2007-09-15 16:05 1.5M 
[ ]ener.38 2007-09-18 15:40 1.5M 
[ ]ener.39 2007-09-19 21:52 1.4M 
[ ]ener.41 2007-09-29 02:33 1.4M 
[ ]ener.42 2007-10-01 17:54 1.5M 
[ ]ener.43 2008-05-09 04:59 1.7M 
[ ]ener.44 2008-05-10 04:15 1.6M 
[ ]ener.45 2008-05-23 02:52 1.7M 
[ ]eq05.ene 2007-05-11 08:13 171K 
[ ]eq05.out 2007-05-11 08:13 209K 
[TXT]eq05.rst 2007-05-11 08:13 3.6M 
[ ]eq05.trj 2007-05-11 08:13 281M 
[ ]eq05a.ene 2007-05-12 18:34 197K 
[ ]eq05a.out 2007-05-12 18:34 244K 
[TXT]eq05a.rst 2007-05-12 18:34 3.6M 
[ ]eq05a.trj 2007-05-12 18:34 325M 
[ ]eq1.ene 2007-05-11 04:58 37K 
[ ]eq1.out 2007-05-11 04:58 57K 
[TXT]eq1.rst 2007-05-11 04:58 3.6M 
[ ]eq1.trj 2007-05-11 04:58 61M 
[ ]eq2.ene 2007-05-11 04:14 37K 
[ ]eq2.out 2007-05-11 04:14 57K 
[TXT]eq2.rst 2007-05-11 04:14 3.6M 
[ ]eq2.trj 2007-05-11 04:14 61M 
[ ]eq3.ene 2007-05-11 03:31 37K 
[ ]eq3.out 2007-05-11 03:31 57K 
[TXT]eq3.rst 2007-05-11 03:31 3.6M 
[ ]eq3.trj 2007-05-11 03:31 61M 
[ ]eq4.ene 2007-05-11 02:47 37K 
[ ]eq4.out 2007-05-11 02:47 57K 
[TXT]eq4.rst 2007-05-11 02:47 3.6M 
[ ]eq4.trj 2007-05-11 02:47 61M 
[ ]eq5.ene 2007-05-11 02:03 37K 
[ ]eq5.out 2007-05-11 02:03 57K 
[TXT]eq5.rst 2007-05-11 02:03 3.6M 
[ ]eq5.trj 2007-05-11 02:03 61M 
[ ]frcmod_smith_dang 2007-05-10 14:25 466  
[TXT]gaff.dat 2007-05-10 14:25 316K 
[ ]heat.ene 2007-05-11 01:20 74K 
[ ]heat.out 2007-05-11 01:20 84K 
[TXT]heat.rst 2007-05-11 01:20 3.6M 
[ ]heat.trj 2007-05-11 01:20 121M 
[ ]heme.off 2007-05-10 14:25 10K 
[ ]heme_cpz.coords 2007-05-10 14:25 3.3K 
[ ]heme_cpz.pdb 2007-05-10 14:25 4.9K 
[ ]heme_cpz.topo 2007-05-10 14:25 48K 
[ ]hemes3.frcmod 2007-05-10 14:25 9.4K 
[DIR]inputs/ 2007-10-08 15:21 -  
[TXT]leap.log 2007-05-11 10:21 127K 
[ ]logfile 2008-05-23 02:52 354K 
[ ]mdin 2008-05-07 15:13 304  
[ ]mdinfo 2008-05-23 02:52 597  
[ ]mdout.1 2007-05-13 06:36 635K 
[ ]mdout.2 2007-05-13 17:51 607K 
[ ]mdout.3 2007-05-14 05:50 621K 
[ ]mdout.4 2007-05-14 18:23 589K 
[ ]mdout.5 2007-05-19 14:17 1.6M 
[ ]mdout.6 2007-05-23 17:50 2.0M 
[ ]mdout.7 2007-05-26 22:10 2.2M 
[ ]mdout.8 2007-05-29 20:36 2.1M 
[ ]mdout.9 2007-06-03 01:42 1.9M 
[ ]mdout.10 2007-06-07 07:14 2.1M 
[ ]mdout.11 2007-06-11 04:57 2.0M 
[ ]mdout.12 2007-06-14 21:46 1.9M 
[ ]mdout.13 2007-06-18 02:15 2.1M 
[ ]mdout.14 2007-06-21 09:49 2.1M 
[ ]mdout.15 2007-06-22 17:47 1.9M 
[ ]mdout.16 2007-06-24 02:05 1.8M 
[ ]mdout.17 2007-06-26 16:01 1.8M 
[ ]mdout.18 2007-06-28 06:28 1.6M 
[ ]mdout.19 2007-07-01 13:43 1.8M 
[ ]mdout.20 2007-07-05 07:42 1.8M 
[ ]mdout.21 2007-07-12 02:08 1.8M 
[ ]mdout.22 2007-07-15 01:49 1.8M 
[ ]mdout.23 2007-07-16 20:11 2.1M 
[ ]mdout.24 2007-07-24 20:37 1.8M 
[ ]mdout.25 2007-07-26 19:50 1.7M 
[ ]mdout.26 2007-08-01 18:22 1.7M 
[ ]mdout.27 2007-08-04 19:46 1.6M 
[ ]mdout.28 2007-08-07 05:07 1.7M 
[ ]mdout.29 2007-08-13 10:26 1.7M 
[ ]mdout.30 2007-08-20 08:05 1.7M 
[ ]mdout.31 2007-08-26 20:58 1.5M 
[ ]mdout.32 2007-09-04 18:37 1.7M 
[ ]mdout.33 2007-09-07 08:05 1.7M 
[ ]mdout.34 2007-09-09 22:14 1.5M 
[ ]mdout.35 2007-09-11 20:30 2.1M 
[ ]mdout.36 2007-09-13 20:08 1.7M 
[ ]mdout.37 2007-09-15 16:05 1.8M 
[ ]mdout.38 2007-09-18 15:40 2.1M 
[ ]mdout.39 2007-09-19 21:52 1.8M 
[ ]mdout.41 2007-09-29 02:33 1.7M 
[ ]mdout.42 2007-10-01 17:54 1.7M 
[ ]mdout.43 2008-05-09 04:59 1.5M 
[ ]mdout.44 2008-05-10 04:15 1.9M 
[ ]mdout.45 2008-05-23 02:52 2.0M 
[ ]min.in 2007-05-10 14:28 245  
[ ]min.pdb 2007-05-10 16:01 407K 
[ ]mini.out 2007-05-11 00:15 23K 
[TXT]mini.rst 2007-05-11 00:15 1.8M 
[ ]mini1.out 2007-05-11 04:16 23K 
[TXT]mini1.rst 2007-05-11 04:16 1.8M 
[ ]mini2.out 2007-05-11 03:32 23K 
[TXT]mini2.rst 2007-05-11 03:32 1.8M 
[ ]mini3.out 2007-05-11 02:48 23K 
[TXT]mini3.rst 2007-05-11 02:48 1.8M 
[ ]mini4.out 2007-05-11 02:05 23K 
[TXT]mini4.rst 2007-05-11 02:05 1.8M 
[ ]mini5.out 2007-05-11 01:21 23K 
[TXT]mini5.rst 2007-05-11 01:21 1.8M 
[ ]n_2BDM_cpz.e2801 2007-05-11 08:13 5.2K 
[ ]n_2BDM_cpz.e2944 2007-05-12 14:46 450  
[ ]n_2BDM_cpz.e3033 2007-05-12 22:32 741  
[ ]n_2BDM_cpz.e3040 2007-05-13 06:36 2.9K 
[ ]n_2BDM_cpz.e3143 2007-05-13 17:51 3.0K 
[ ]n_2BDM_cpz.e3231 2007-05-14 05:51 2.7K 
[ ]n_2BDM_cpz.e3292 2007-05-14 18:47 8.0K 
[ ]n_2BDM_cpz.o2801 2007-05-11 08:13 2.6K 
[ ]n_2BDM_cpz.o2944 2007-05-12 18:34 1.6K 
[ ]n_2BDM_cpz.o3033 2007-05-12 22:32 1.6K 
[ ]n_2BDM_cpz.o3040 2007-05-13 06:36 2.6K 
[ ]n_2BDM_cpz.o3143 2007-05-13 17:51 2.6K 
[ ]n_2BDM_cpz.o3231 2007-05-14 05:51 2.6K 
[ ]n_2BDM_cpz.o3292 2007-05-14 18:47 2.6K 
[ ]out.e296759 2007-05-15 20:41 2.5K 
[ ]out.e297209 2007-05-19 14:18 207  
[ ]out.e314053 2007-05-23 17:50 207  
[ ]out.e316500 2007-05-26 22:10 207  
[ ]out.e318714 2007-05-29 20:36 207  
[ ]out.e320871 2007-06-03 01:43 207  
[ ]out.e324279 2007-06-07 07:15 212  
[ ]out.e327932 2007-06-11 04:58 214  
[ ]out.e329583 2007-06-14 21:46 214  
[ ]out.e335808 2007-06-18 02:15 214  
[ ]out.e339000 2007-06-21 09:49 214  
[ ]out.e341298 2007-06-22 17:47 214  
[ ]out.e342909 2007-06-24 02:05 214  
[ ]out.e345803 2007-06-26 16:01 214  
[ ]out.e347009 2007-06-28 06:35 596  
[ ]out.e348660 2007-07-01 13:43 214  
[ ]out.e351517 2007-07-05 07:43 214  
[ ]out.e358906 2007-07-12 02:08 214  
[ ]out.e363144 2007-07-15 01:49 214  
[ ]out.e366294 2007-07-16 20:12 214  
[ ]out.e376355 2007-07-24 20:37 214  
[ ]out.e378378 2007-07-26 19:51 214  
[ ]out.e393670 2007-08-01 18:23 214  
[ ]out.e400368 2007-08-04 19:47 214  
[ ]out.e408721 2007-08-07 05:07 214  
[ ]out.e420099 2007-08-08 11:12 664  
[ ]out.e424970 2007-08-13 10:27 214  
[ ]out.e444104 2007-08-20 08:05 214  
[ ]out.e453785 2007-08-26 20:59 214  
[ ]out.e457008 2007-09-01 08:10 729  
[ ]out.e460757 2007-09-02 05:28 320  
[ ]out.e461663 2007-09-04 18:37 214  
[ ]out.e463798 2007-09-07 08:05 214  
[ ]out.e464990 2007-09-09 22:14 214  
[ ]out.e467575 2007-09-11 20:30 214  
[ ]out.e469796 2007-09-13 20:09 1.6K 
[ ]out.e471498 2007-09-15 16:05 214  
[ ]out.e472873 2007-09-18 15:41 214  
[ ]out.e474241 2007-09-19 21:53 1.6K 
[ ]out.o296759 2007-05-15 20:41 3.0K 
[ ]out.o297209 2007-05-19 14:18 3.1K 
[ ]out.o314053 2007-05-23 17:51 4.5K 
[ ]out.o316500 2007-05-26 22:11 4.5K 
[ ]out.o318714 2007-05-29 20:37 4.5K 
[ ]out.o320871 2007-06-03 01:43 4.5K 
[ ]out.o324279 2007-06-07 07:15 4.5K 
[ ]out.o327932 2007-06-11 04:58 4.5K 
[ ]out.o329583 2007-06-14 21:47 4.5K 
[ ]out.o335808 2007-06-18 02:16 4.5K 
[ ]out.o339000 2007-06-21 09:49 4.5K 
[ ]out.o341298 2007-06-22 17:48 4.5K 
[ ]out.o342909 2007-06-24 02:06 4.5K 
[ ]out.o345803 2007-06-26 16:02 4.5K 
[TXT]out.o347009 2007-06-28 15:29 1.4K 
[ ]out.o348660 2007-07-01 13:43 4.5K 
[ ]out.o351517 2007-07-05 07:43 4.5K 
[ ]out.o358906 2007-07-12 02:09 4.5K 
[ ]out.o363144 2007-07-15 01:50 4.5K 
[ ]out.o366294 2007-07-16 20:13 4.5K 
[ ]out.o376355 2007-07-24 20:38 4.5K 
[ ]out.o378378 2007-07-26 19:51 4.5K 
[ ]out.o393670 2007-08-01 18:24 4.5K 
[ ]out.o400368 2007-08-04 19:48 4.5K 
[ ]out.o408721 2007-08-07 05:08 4.5K 
[ ]out.o420099 2007-08-08 11:12 4.5K 
[ ]out.o424970 2007-08-13 10:27 4.4K 
[ ]out.o444104 2007-08-20 08:06 4.4K 
[ ]out.o453785 2007-08-26 20:59 4.4K 
[ ]out.o457008 2007-09-01 08:10 4.4K 
[ ]out.o460757 2007-09-02 05:28 4.4K 
[ ]out.o461663 2007-09-04 18:38 4.4K 
[ ]out.o463798 2007-09-07 08:05 4.4K 
[ ]out.o464990 2007-09-09 22:15 4.4K 
[ ]out.o467575 2007-09-11 20:31 4.4K 
[ ]out.o469796 2007-09-13 20:09 4.4K 
[ ]out.o471498 2007-09-15 16:05 4.4K 
[ ]out.o472873 2007-09-18 15:41 4.4K 
[ ]out.o474241 2007-09-19 21:53 4.4K 
[ ]prmtop 2007-05-10 23:37 9.3M 
[TXT]profile_mpi 2007-05-12 18:34 147K 
[ ]randomize_ions.in 2007-05-10 22:51 125  
[ ]restrain_cpz 2007-05-10 14:29 91  
[ ]restrt.0 2007-05-12 22:31 3.6M 
[ ]restrt.1 2007-05-13 06:36 3.6M 
[ ]restrt.2 2007-05-13 17:51 3.6M 
[ ]restrt.3 2007-05-14 05:50 3.6M 
[ ]restrt.4 2007-05-14 18:23 3.6M 
[ ]restrt.5 2007-05-19 14:17 3.6M 
[ ]restrt.6 2007-05-23 17:50 3.6M 
[ ]restrt.7 2007-05-26 22:10 3.6M 
[ ]restrt.8 2007-05-29 20:36 3.6M 
[ ]restrt.9 2007-06-03 01:42 3.6M 
[ ]restrt.10 2007-06-07 07:14 3.6M 
[ ]restrt.11 2007-06-11 04:57 3.6M 
[ ]restrt.12 2007-06-14 21:46 3.6M 
[ ]restrt.13 2007-06-18 02:15 3.6M 
[ ]restrt.14 2007-06-21 09:49 3.6M 
[ ]restrt.15 2007-06-22 17:47 3.6M 
[ ]restrt.16 2007-06-24 02:05 3.6M 
[ ]restrt.17 2007-06-26 16:01 3.6M 
[ ]restrt.18 2007-06-28 06:28 3.6M 
[ ]restrt.19 2007-07-01 13:43 3.6M 
[ ]restrt.20 2007-07-05 07:42 3.6M 
[ ]restrt.21 2007-07-12 02:08 3.6M 
[ ]restrt.22 2007-07-15 01:49 3.6M 
[ ]restrt.23 2007-07-16 20:11 3.6M 
[ ]restrt.24 2007-07-24 20:37 3.6M 
[ ]restrt.25 2007-07-26 19:50 3.6M 
[ ]restrt.26 2007-08-01 18:22 3.6M 
[ ]restrt.27 2007-08-04 19:46 3.6M 
[ ]restrt.28 2007-08-07 05:07 3.6M 
[ ]restrt.29 2007-08-13 10:26 3.6M 
[ ]restrt.30 2007-08-20 08:05 3.6M 
[ ]restrt.31 2007-08-26 20:58 3.6M 
[ ]restrt.32 2007-09-04 18:37 3.6M 
[ ]restrt.33 2007-09-07 08:05 3.6M 
[ ]restrt.34 2007-09-09 22:14 3.6M 
[ ]restrt.35 2007-09-11 20:30 3.6M 
[ ]restrt.36 2007-09-13 20:08 3.6M 
[ ]restrt.37 2007-09-15 16:05 3.6M 
[ ]restrt.38 2007-09-18 15:40 3.6M 
[ ]restrt.39 2007-09-19 21:52 3.6M 
[ ]restrt.40 2007-09-24 02:40 3.6M 
[ ]restrt.41 2007-09-29 02:33 3.6M 
[ ]restrt.42 2007-10-01 17:54 3.6M 
[ ]restrt.43 2008-05-09 04:59 3.6M 
[ ]restrt.44 2008-05-10 04:15 3.6M 
[ ]restrt.45 2008-05-23 02:52 2.6M 
[ ]rms 2007-09-24 11:50 1.4M 
[ ]rms-all 2007-09-24 11:50 1.4M 
[ ]runit 2008-05-20 10:32 429  
[ ]runit.0 2007-05-14 21:27 486  
[ ]runit.4 2007-05-15 17:40 351  
[ ]runit.5 2007-05-21 12:19 351  
[ ]runit.equil 2007-05-11 10:28 2.1K 
[ ]strip.in 2007-09-23 14:30 8.1K 
[ ]strip.out 2007-09-24 11:50 122K