Amber Archive Jan 2007 by messages with attachments

433 messages: Starting Wed Jan 03 2007 - 06:07:11 PST, Ending Sun Feb 04 2007 - 06:07:23 PST
This period: Most recent messages
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AMBER: Leap adding 3 extra atoms Akshay Patny (Thu Jan 11 2007 - 09:35:00 PST)
1. Telmisartan_charged_frcmod (1393 bytes)
2. Telmisartan_charged_resp.prep (5987 bytes)
3. telmi.pdb (2340 bytes)
4. telmi_amber.pdb (4833 bytes)
RE: AMBER: Leap adding extra atoms Akshay Patny (Thu Jan 11 2007 - 13:38:37 PST)
1. DMPC_mono_sybyl.mol2 (12854 bytes)
2. DMPC_mono_resp.prep (9004 bytes)
AMBER: problems in energy minimization using TIP5P water model sugino tatsuro (Sun Jan 14 2007 - 08:35:11 PST)
1. sander.out (23653 bytes)
2. leap.log (3692 bytes)
AMBER: RESP Charges for Charged Carboxylate in Organic Ligand Akshay Patny (Fri Jan 19 2007 - 00:34:58 PST)
1. Telmisartan_charged_resp.prep (6109 bytes)
2. Telmisartan_charged_resp_ante.mol2 (7128 bytes)
AMBER: Steve Seibold (Fri Jan 19 2007 - 11:53:47 PST)
1. CcO_MD1Rst1.out (4954 bytes)
2. CcO_MD1Rst1.in (810 bytes)
AMBER: Antechamber esp calculation mathew k varghese (Mon Jan 22 2007 - 20:44:42 PST)
1. XAE6.out (422988 bytes)
2. xae.pdb (3078 bytes)
RE: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2 Ross Walker (Wed Jan 24 2007 - 09:49:20 PST)
1. bugfix.29 (1576 bytes)
AMBER: Fwd: a request santanu roy (Thu Jan 25 2007 - 00:55:32 PST)
1. min1.in (581 bytes)
2. min1.out (10683 bytes)
AMBER: Improper angle by Antechamber Pavan G (Sun Jan 28 2007 - 09:28:29 PST)
1. 1.JPG (33565 bytes)
2. 2.JPG (36145 bytes)
RE: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand Akshay Patny (Mon Jan 29 2007 - 08:57:45 PST)
1. Telmisartan_charged_resp.prep (5987 bytes)
2. Telmisartan_charged_resp_ante.mol2 (6975 bytes)
3. Telmisartan_charged_resp_ante.jpg (93235 bytes)
Re: AMBER: pmemd install error Ji-Lai Li (Sun Jan 28 2007 - 19:18:05 PST)
1. ifort.txt (3363 bytes)
2. mpif90.txt (28475 bytes)