Amber Archive Oct 2009 by messages with attachments
481 messages
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Starting
Wed Sep 30 2009 - 12:00:02 PDT,
Ending
Sat Oct 31 2009 - 16:00:02 PDT
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Re: [AMBER] trouble using iAPBS
Oliver Kuhn
(Thu Oct 01 2009 - 04:31:51 PDT)
iapbs_com.1.out
(6142 bytes)
Re: [AMBER] DMF solvent box
Abhishek Banerjee
(Tue Oct 06 2009 - 21:10:22 PDT)
min.in
(133 bytes)
min.png
(391082 bytes)
ori.png
(190779 bytes)
Re: [AMBER] DMF solvent box
Abhishek Banerjee
(Thu Oct 08 2009 - 20:41:02 PDT)
Screenshot.png
(558356 bytes)
[AMBER] decomposition and calculation of entropy
Qinghua Liao
(Fri Oct 09 2009 - 23:13:49 PDT)
decomp.rar
(14602 bytes)
Nmode.rar
(118216 bytes)
[AMBER] A bug in LEaP ?
FyD
(Sun Oct 11 2009 - 05:08:37 PDT)
P1.off
(2667 bytes)
[AMBER] Energy-from-MM/PBSA-VS-experiment
Rilei Yu
(Sun Oct 11 2009 - 05:53:00 PDT)
snapshot_statistics.out
(2125 bytes)
binding_energy.mmpbsa
(8410 bytes)
[AMBER] Simulating transmembrane protein.
Jayalakshmi Sridhar
(Mon Oct 12 2009 - 11:42:11 PDT)
jsridhar.vcf
(205 bytes)
Re: [AMBER] Simulating transmembrane protein.
Jayalakshmi Sridhar
(Mon Oct 12 2009 - 12:57:02 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] LES and NEB problem
Rima Chaudhuri
(Tue Oct 13 2009 - 12:35:37 PDT)
md_nve2les.in
(465 bytes)
md_nve7_plp617_les.out
(6254 bytes)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation
Nicolas Sapay
(Thu Oct 15 2009 - 05:34:28 PDT)
nicolas_sapay.vcf
(391 bytes)
Re: [AMBER] AMBER FF and NAMD
Nicolas Sapay
(Fri Oct 16 2009 - 07:59:53 PDT)
nicolas_sapay.vcf
(391 bytes)
Re: [AMBER] Dihedral energy profile in a single molecule
Jason Swails
(Fri Oct 16 2009 - 08:02:35 PDT)
scan.sh
(2705 bytes)
Re: [AMBER] question with pucker in six member ring
Nicolas Sapay
(Fri Oct 16 2009 - 08:04:24 PDT)
nicolas_sapay.vcf
(391 bytes)
RE: [AMBER] Error: unable to find mopac charges in mopac.out
Rilei Yu
(Tue Oct 20 2009 - 00:12:19 PDT)
FOR005
(298 bytes)
FOR006
(81 bytes)
mopac.sh
(535 bytes)
[AMBER] simulation blown up
moitrayee.mbu.iisc.ernet.in
(Tue Oct 20 2009 - 10:41:29 PDT)
2zni_2YLY.pdb
(371982 bytes)
[AMBER] xleap editing window icons inactive
Jayalakshmi Sridhar
(Wed Oct 21 2009 - 11:20:01 PDT)
jsridhar.vcf
(205 bytes)
RE: [AMBER] xleap editing window icons inactive
Jayalakshmi Sridhar
(Wed Oct 21 2009 - 11:32:46 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] problem with minimization
moitrayee.mbu.iisc.ernet.in
(Thu Oct 22 2009 - 04:01:14 PDT)
final_comp.pdb
(620640 bytes)
YLY.frcmod
(196 bytes)
YLY.in
(5931 bytes)
[AMBER] [Fwd: problem with minimization]
moitrayee.mbu.iisc.ernet.in
(Thu Oct 22 2009 - 05:46:32 PDT)
final_comp.pdb
(620640 bytes)
YLY.frcmod
(196 bytes)
YLY.in
(5931 bytes)
[AMBER] charges for heme-cys in p450
Jayalakshmi Sridhar
(Thu Oct 22 2009 - 09:03:08 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] inhibitor prepin not recognized in xleap
Jayalakshmi Sridhar
(Fri Oct 23 2009 - 08:56:40 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] inhibitor prepin not recognized in xleap
Jayalakshmi Sridhar
(Fri Oct 23 2009 - 09:05:46 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] xleap not reconizing inhibitor prepin
Jayalakshmi Sridhar
(Fri Oct 23 2009 - 09:21:07 PDT)
jsridhar.vcf
(205 bytes)
[AMBER] A bug in LEaP II ?
FyD
(Sun Oct 25 2009 - 05:58:36 PDT)
P1.off
(2667 bytes)
Q1.off
(2629 bytes)
Re: [AMBER] too many undefined parameters in frcmod
Junmei Wang
(Mon Oct 26 2009 - 07:45:04 PDT)
parm99sb_gaff.dat
(365560 bytes)
RE: [AMBER] Possible bug in "com" group torsion angle constrain? Thanks!
Seetin, Matthew
(Tue Oct 27 2009 - 14:17:41 PDT)
winmail.dat
(0 bytes)
[AMBER] Conversion of Gaussian output file into mol2
megha bajaj
(Wed Oct 28 2009 - 01:00:35 PDT)
mol41.rar
(751458 bytes)
[AMBER] Re: (files attached) RESP with -a and witout -a flag
Jio M
(Fri Oct 30 2009 - 22:17:55 PDT)
with_a_flag.mol2
(846 bytes)
witout_a_flag.mol2
(848 bytes)
[AMBER] Gaussian log file error
megha bajaj
(Sat Oct 31 2009 - 06:10:22 PDT)
mol16.log
(339927 bytes)
Last message date
:
Sat Oct 31 2009 - 16:00:02 PDT
Archived on
: Mon Dec 02 2024 - 05:53:55 PST
481 messages
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