Amber Archive Feb 2007 by messages with attachments
432 messages
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Starting
Sun Feb 04 2007 - 06:07:19 PST,
Ending
Sun Mar 04 2007 - 06:07:28 PST
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AMBER: format of .xyz files and pdb
Gobind Singh Bisht
(Wed Jan 31 2007 - 14:05:24 PST)
pink.pdb
(103428 bytes)
yello5.xyz
(99034 bytes)
AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
Akshay Patny
(Fri Feb 02 2007 - 08:05:35 PST)
Telmisartan_charged_resp.prep
(5987 bytes)
Telmisartan_charged_resp_ante.mol2
(6975 bytes)
Telmisartan_charged_resp_ante.jpg
(93235 bytes)
Re: AMBER: iRED and corrired
Holger Gohlke
(Mon Feb 05 2007 - 08:09:15 PST)
bugfix.ptraj
(11423 bytes)
Re: AMBER: Compiling Amber 8 on SuSE 10.2
Cenk Andac
(Wed Feb 07 2007 - 12:02:17 PST)
bugfix.29
(1575 bytes)
AMBER: Membrane Simulation: NPT Issues
Akshay Patny
(Wed Feb 07 2007 - 09:28:05 PST)
pressure_1_20_120_ps.jpg
(40127 bytes)
water_displaced.jpg
(135939 bytes)
protein_moved.jpg
(60227 bytes)
AMBER: Compiling Amber 7
David J. Powers
(Thu Feb 08 2007 - 07:13:00 PST)
MACHINE
(5094 bytes)
AMBER: Box problems in vacuum minimization with sander.serial 8
j j
(Tue Feb 13 2007 - 11:05:16 PST)
RU5.min1
(209 bytes)
RU5.outm1
(2584 bytes)
NSER.min1
(150 bytes)
NSER.outm1
(2439 bytes)
NSER.16.outm1
(5549 bytes)
Re: AMBER: Modified nucleotides
mathew k varghese
(Tue Feb 13 2007 - 19:47:08 PST)
xae.pdb
(3078 bytes)
xcs.pdb
(3159 bytes)
xga.pdb
(3159 bytes)
xty.pdb
(3078 bytes)
AMBER: Prepgen
A Box
(Wed Feb 14 2007 - 20:15:21 PST)
31G_SP.ac
(13675 bytes)
31G_SP.ac
(13675 bytes)
mainchain.pro4
(175 bytes)
RE: AMBER: Installing AMBER v9 in Linux
Syed Tarique Moin
(Sun Feb 18 2007 - 23:26:33 PST)
serial.log
(886 bytes)
RE: AMBER: Installing AMBER v9 in Linux
Syed Tarique Moin
(Mon Feb 19 2007 - 00:25:13 PST)
serial.log
(528 bytes)
AMBER: Problems with QMMM tests on Altix
Jarrod Smith
(Thu Feb 22 2007 - 14:03:14 PST)
qmmm_errors.txt
(6705 bytes)
AMBER: SCF convergence issues
Steven Winfield
(Fri Feb 23 2007 - 03:27:38 PST)
quantum_region.pdb
(10279 bytes)
Re: AMBER: phe-phe molecule
deepti nayar
(Mon Feb 26 2007 - 20:51:53 PST)
phe_phe_charge_mol2.mol2
(5805 bytes)
Last message date
:
Sun Mar 04 2007 - 06:07:28 PST
Archived on
: Sun Sep 15 2024 - 05:53:34 PDT
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