Amber Archive Jan 2007 by messages with attachments
433 messages
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Starting
Wed Jan 03 2007 - 06:07:11 PST,
Ending
Sun Feb 04 2007 - 06:07:23 PST
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AMBER: Leap adding 3 extra atoms
Akshay Patny
(Thu Jan 11 2007 - 09:35:00 PST)
Telmisartan_charged_frcmod
(1393 bytes)
Telmisartan_charged_resp.prep
(5987 bytes)
telmi.pdb
(2340 bytes)
telmi_amber.pdb
(4833 bytes)
RE: AMBER: Leap adding extra atoms
Akshay Patny
(Thu Jan 11 2007 - 13:38:37 PST)
DMPC_mono_sybyl.mol2
(12854 bytes)
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)
sander.out
(23653 bytes)
leap.log
(3692 bytes)
AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
Akshay Patny
(Fri Jan 19 2007 - 00:34:58 PST)
Telmisartan_charged_resp.prep
(6109 bytes)
Telmisartan_charged_resp_ante.mol2
(7128 bytes)
AMBER:
Steve Seibold
(Fri Jan 19 2007 - 11:53:47 PST)
CcO_MD1Rst1.out
(4954 bytes)
CcO_MD1Rst1.in
(810 bytes)
AMBER: Antechamber esp calculation
mathew k varghese
(Mon Jan 22 2007 - 20:44:42 PST)
XAE6.out
(422988 bytes)
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)
bugfix.29
(1576 bytes)
AMBER: Fwd: a request
santanu roy
(Thu Jan 25 2007 - 00:55:32 PST)
min1.in
(581 bytes)
min1.out
(10683 bytes)
AMBER: Improper angle by Antechamber
Pavan G
(Sun Jan 28 2007 - 09:28:29 PST)
1.JPG
(33565 bytes)
2.JPG
(36145 bytes)
RE: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
Akshay Patny
(Mon Jan 29 2007 - 08:57:45 PST)
Telmisartan_charged_resp.prep
(5987 bytes)
Telmisartan_charged_resp_ante.mol2
(6975 bytes)
Telmisartan_charged_resp_ante.jpg
(93235 bytes)
Re: AMBER: pmemd install error
Ji-Lai Li
(Sun Jan 28 2007 - 19:18:05 PST)
ifort.txt
(3363 bytes)
mpif90.txt
(28475 bytes)
Last message date
:
Sun Feb 04 2007 - 06:07:23 PST
Archived on
: Fri Dec 06 2024 - 05:53:34 PST
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