Amber Archive Jun 2012 by messages with attachments
767 messages
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Starting
Thu May 31 2012 - 10:30:03 PDT,
Ending
Sat Jun 30 2012 - 15:30:03 PDT
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[AMBER] cuda errors
Jonathan Gough
(Thu May 31 2012 - 21:13:22 PDT)
06-01_00-01-02.log.gz
(1667 bytes)
06-01_00-01-02.diff.gz
(451213 bytes)
[AMBER] ptraj Hbond analysis
shradhey gupta
(Thu May 31 2012 - 21:55:09 PDT)
hbond.ptraj
(358 bytes)
anal_hbond.out
(9579 bytes)
[AMBER] ptraj Hbond analysis
shradhey gupta
(Thu May 31 2012 - 21:56:20 PDT)
hbond.ptraj
(358 bytes)
anal_hbond.out
(9579 bytes)
Re: [AMBER] MMPBSA_Error: Could not find necessary program [sander]
Cao Yang
(Fri Jun 01 2012 - 06:29:34 PDT)
FINAL_DECOMP_MMPBSA.dat
(277047 bytes)
[AMBER] ptraj Hbond analysis
shradhey gupta
(Fri Jun 01 2012 - 22:51:36 PDT)
hbond.ptraj
(358 bytes)
anal_hbond.out
(9579 bytes)
Re: [AMBER] Problem in parameter file generation
Asma Abro 28-FBAS/MSBI/F09
(Mon Jun 04 2012 - 03:02:35 PDT)
Dock_ste.pdb
(364700 bytes)
ste.frcmod
(2728 bytes)
ste
(10958 bytes)
[AMBER] Amber11 Installation Problem
arun kumar
(Tue Jun 05 2012 - 23:35:20 PDT)
06-06_16-42-05.log
(71439 bytes)
06-06_16-42-05.diff
(11005 bytes)
Re: [AMBER] Problems installing AmberTools12 on Ubuntu
Adam Jion
(Thu Jun 07 2012 - 18:41:55 PDT)
build.log
(602564 bytes)
[AMBER] FIX for Mac OS X Lion with Xcode 4.3.2
Jason Swails
(Fri Jun 08 2012 - 05:21:26 PDT)
bugfix.8
(6961 bytes)
Re: [AMBER] Entropy from MMPBSA.py and MM_PBSA.pl
Nan Li
(Fri Jun 08 2012 - 09:17:21 PDT)
mm_pbsapl.in
(9892 bytes)
mmpbsapy.in
(125 bytes)
[AMBER] QM/MM minimization
Ewa Chudyk
(Mon Jun 11 2012 - 08:17:43 PDT)
0.7_3.5.out2-12
(499352 bytes)
0.7_3.5.out2-11
(145962 bytes)
Re: [AMBER] MMPBSA calculation reproducibility
Sangita Kachhap
(Mon Jun 11 2012 - 11:56:33 PDT)
TG_1-3-prod-30ns.rms.pdf
(105899 bytes)
[AMBER] force field library for protonated cytosine
Asmita Gupta
(Thu Jun 14 2012 - 11:24:32 PDT)
o1.mol2
(3636 bytes)
convert_mol_to_off
(917 bytes)
Re: [AMBER] R: strange POPC under lipids 11 FF
Ross Walker
(Fri Jun 15 2012 - 02:26:20 PDT)
popc.jpg
(227828 bytes)
[AMBER] Fail to read hem parameters written by P. Rydberg
崔颖璐
(Fri Jun 15 2012 - 05:08:07 PDT)
hem_ryd.in
(8084 bytes)
frcmod.hemryd
(5596 bytes)
Re: [AMBER] Facing problem on TUTORIAL A1
sudipta
(Fri Jun 15 2012 - 12:05:30 PDT)
plc.frcmod
(1272 bytes)
cua.pdb
(80 bytes)
[AMBER] chiral Sulfur atom
Yun Shi
(Fri Jun 15 2012 - 15:30:00 PDT)
Sulf.png
(7002 bytes)
[AMBER] modeling GDP
Brandon Sim
(Mon Jun 18 2012 - 11:43:52 PDT)
GDP.pdb
(3087 bytes)
[AMBER] PB Bomb in epsmap(): epsy out of range
Xiao Ba
(Tue Jun 19 2012 - 14:37:12 PDT)
pbsasfe.out
(112105 bytes)
[AMBER] Specifying disulfide bonds in a protein model
Beale, John
(Thu Jun 21 2012 - 02:18:09 PDT)
image001.jpg
(23871 bytes)
[AMBER] TI calculation Amber 12
Anna Bauß
(Thu Jun 21 2012 - 02:42:53 PDT)
anna_bauss.vcf
(348 bytes)
Re: [AMBER] TI calculation Amber 12
Anna Bauß
(Thu Jun 21 2012 - 04:31:35 PDT)
anna_bauss.vcf
(348 bytes)
Re: [AMBER] TI calculation Amber 12
Anna Bauß
(Thu Jun 21 2012 - 05:53:54 PDT)
04-12_15-44-32.log
(84312 bytes)
anna_bauss.vcf
(348 bytes)
Re: [AMBER] Sander Error
Melissa Buskes
(Fri Jun 22 2012 - 01:15:20 PDT)
PKA1.tar.gz
(344734 bytes)
Re: [AMBER] R: strange POPC under lipids 11 FF
Gould, Ian R
(Fri Jun 22 2012 - 01:50:25 PDT)
Figure_Lipid.pdf
(130996 bytes)
Table_Lipids.pdf
(42935 bytes)
Re: [AMBER] NaN with GTX580 pmemd.cuda simulation with and without iwrap = 1
Ben Roberts
(Sat Jun 23 2012 - 21:17:24 PDT)
smime.p7s
(4373 bytes)
[AMBER] problem in antechamber
jit mukherjee
(Mon Jun 25 2012 - 01:30:20 PDT)
divcon.out
(177487 bytes)
Re: [AMBER] (no subject)
DEBOSTUTI GHOSHDASTIDAR
(Mon Jun 25 2012 - 11:00:31 PDT)
acetate_newFF.frc
(835 bytes)
[AMBER] problem in the bondtype judgement step in antechamber
jit mukherjee
(Tue Jun 26 2012 - 00:30:57 PDT)
swcnt_ad3_sidewall_closedshell.pdb
(35337 bytes)
ANTECHAMBER_BOND_TYPE.AC0
(26646 bytes)
ANTECHAMBER_BOND_TYPE.AC
(26646 bytes)
ATOMTYPE.INF
(83505 bytes)
[AMBER] AMBER Error: unable to achieve consistency
Asma Abro 28-FBAS/MSBI/F09
(Tue Jun 26 2012 - 20:40:12 PDT)
ligand.pdb
(2728 bytes)
Re: [AMBER] AMBER Error: unable to achieve consistency
Asma Abro 28-FBAS/MSBI/F09
(Tue Jun 26 2012 - 22:20:21 PDT)
lig_h.pdb
(2775 bytes)
Re: [AMBER] AMBER Error: unable to achieve consistency
Jodi Ann Hadden
(Wed Jun 27 2012 - 08:32:28 PDT)
ligand_H.pdb
(5790 bytes)
Re: [AMBER] Low POPC area per lipid - LIPID11
Ross Walker
(Thu Jun 28 2012 - 12:34:14 PDT)
Fig_4.TIF
(410128 bytes)
Re: [AMBER] CHAMBER with RNA
BERGY
(Fri Jun 29 2012 - 00:28:15 PDT)
error_chamber.zip
(159086 bytes)
[AMBER] update for POPE test
Albert
(Fri Jun 29 2012 - 05:28:44 PDT)
pope.jpeg
(100317 bytes)
[AMBER] update for POPE test
Albert
(Fri Jun 29 2012 - 05:32:16 PDT)
pope_plot.jpg
(81115 bytes)
Re: [AMBER] update for POPE test
Albert
(Fri Jun 29 2012 - 07:16:46 PDT)
100ns.jpg
(149254 bytes)
Re: [AMBER] Problem while running MMPBSA
qiqi
(Fri Jun 29 2012 - 13:08:44 PDT)
raf_top_mdcrd_MMPBSA_files.tar.gz
(355722 bytes)
Last message date
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Sat Jun 30 2012 - 15:30:03 PDT
Archived on
: Sun Dec 08 2024 - 05:54:39 PST
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