Amber Archive Dec 2013 by messages with attachments

387 messages: Starting Sat Nov 30 2013 - 08:30:03 PST, Ending Tue Dec 31 2013 - 11:30:02 PST
This period: Most recent messages
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[AMBER] AMBER12 test discrepancy Guanglei Cui (Tue Dec 03 2013 - 07:55:44 PST)
1. 11-21_14-40-30.diff (1257 bytes)
2. 11-21_14-40-30.log (101440 bytes)
3. 11-21_15-34-44.diff (5013 bytes)
4. 11-21_15-34-44.log (22754 bytes)
[AMBER] Restrained MD with COM restraint with PMEMD Mike Limb (Tue Dec 03 2013 - 14:16:59 PST)
1. md_10ns.i (323 bytes)
Re: [AMBER] Converting Amoeba .xyz for use with Amber Eugene Yedvabny (Mon Dec 09 2013 - 14:27:38 PST)
1. oxy.key (88 bytes)
2. oxy_stripped.pdb (11023 bytes)
3. oxy.pdb (11023 bytes)
[AMBER] I got a error David Chen (Thu Dec 12 2013 - 04:22:58 PST)
1. no_mutate.pdb (344527 bytes)
2. mutate_trp281.pdb (343798 bytes)
[AMBER] I got a error David Chen (Fri Dec 13 2013 - 02:42:35 PST)
1. complex.pdb (344527 bytes)
2. complex_mutate_tyr278.pdb (343962 bytes)
Re: [AMBER] Converting Amoeba .xyz for use with Amber Eugene Yedvabny (Fri Dec 13 2013 - 14:08:40 PST)
1. oxy.analout (168068 bytes)
Re: [AMBER] Converting Amoeba .xyz for use with Amber case (Sat Dec 14 2013 - 08:09:50 PST)
1. oxy.analout (168069 bytes)
[AMBER] FINAL_RESULTS_MMPBSA error filip fratev (Thu Dec 19 2013 - 23:23:41 PST)
1. dec_test_80_kadyra.dat (4604 bytes)
2. FINAL_RESULTS_MMPBSA.dat (4592 bytes)
[AMBER] ErrorWithLeap JAIME RUBIO MARTINEZ (Mon Dec 23 2013 - 16:17:20 PST)
1. date_ (75569 bytes)
2. date_ (178 bytes)
3. date_ (434 bytes)
4. date_ (185 bytes)
5. date_ (423 bytes)
6. date_ (3623 bytes)
7. date_ (2789 bytes)
Re: [AMBER] capturing free energy landscape anu chandra (Thu Dec 26 2013 - 03:59:03 PST)
1. DeltG_landscape.png (6809 bytes)
Re: [AMBER] Fwd: Asfa Ali (Thu Dec 26 2013 - 05:37:55 PST)
1. snapshot_com.all.out (1757 bytes)
2. snapshot_lig.all.out (1757 bytes)
3. snapshot_rec.all.out (1757 bytes)
[AMBER] Problems about invoking AMBER12 in calculating binding energy Yanyan ZHU (Thu Dec 26 2013 - 18:19:00 PST)
1. QQ______20131227101423.jpg (7945 bytes)
Re: [AMBER] unable to recognize Chlorine atom even after defining in lib and frcmod file onetwo (Thu Dec 26 2013 - 22:42:40 PST)
1. leap.log (59978 bytes)
[AMBER] Problem when calculating MMPBSA dongying0512 (Thu Dec 26 2013 - 22:53:49 PST)
1. inputs_and_results.rar (530927 bytes)
Re: [AMBER] Problem when calculating MMPBSA (Jason Swails) dongying0512 (Sun Dec 29 2013 - 17:21:37 PST)
1. files.rar (711419 bytes)