Amber Archive Mar 2006 by thread
289 messages
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Starting
Sun Mar 05 2006 - 06:10:11 PST,
Ending
Sun Apr 02 2006 - 06:10:17 PDT
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Re: AMBER: How to develop charge for my deprotonated glycine
FyD
(Tue Feb 28 2006 - 21:00:37 PST)
Re: AMBER: How to develop charge for my deprotonated glycine
Jianzhong Liu
(Fri Mar 03 2006 - 11:05:41 PST)
Re: AMBER: How to develop charge for my deprotonated glycine
FyD
(Sat Mar 04 2006 - 01:26:13 PST)
Re: AMBER: How to develop charge for my deprotonated glycine
Jianzhong Liu
(Sat Mar 04 2006 - 19:05:12 PST)
AMBER: install error
biolabadmin.ibt.lt
(Wed Mar 01 2006 - 03:13:12 PST)
RE: AMBER: install error
Ross Walker
(Wed Mar 01 2006 - 08:08:24 PST)
Re: AMBER: install error
biolabadmin.ibt.lt
(Thu Mar 02 2006 - 04:48:17 PST)
AMBER: transition metals and the parmcal of the antechamber module
Cenk Andac
(Thu Mar 02 2006 - 03:09:44 PST)
Re: AMBER: install error
Mark Williamson
(Thu Mar 02 2006 - 03:13:40 PST)
Re: AMBER: install error
biolabadmin.ibt.lt
(Fri Mar 03 2006 - 01:47:11 PST)
AMBER: Nmode vs QM Freq Calculation
Mark Williamson
(Wed Mar 01 2006 - 03:28:57 PST)
Re: AMBER: Nmode vs QM Freq Calculation
David A. Case
(Wed Mar 01 2006 - 10:54:12 PST)
AMBER: leap: syntax error when use source command
Dmitry Osolodkin
(Wed Mar 01 2006 - 04:27:47 PST)
RE:AMBER: leap: syntax error when use source command
Kateryna Miroshnychenko
(Wed Mar 01 2006 - 04:58:22 PST)
AMBER: replica exchange hangs
Peter Varnai
(Wed Mar 01 2006 - 09:29:34 PST)
Re: AMBER: replica exchange hangs
Sergey Krishtal
(Wed Mar 01 2006 - 10:15:46 PST)
Re: AMBER: replica exchange hangs
Carlos Simmerling
(Wed Mar 01 2006 - 10:37:04 PST)
Re: AMBER: replica exchange hangs
Peter Varnai
(Wed Mar 01 2006 - 10:56:21 PST)
Re: AMBER: replica exchange hangs
Carlos Simmerling
(Wed Mar 01 2006 - 10:37:40 PST)
Re: AMBER: failed to save prm and xyz using ff96
Joseph Nachman
(Wed Mar 01 2006 - 12:51:09 PST)
Re: AMBER: failed to save prm and xyz using ff96
Viktor Hornak
(Wed Mar 01 2006 - 13:16:13 PST)
Re: AMBER: failed to save prm and xyz using ff96
Joseph Nachman
(Wed Mar 01 2006 - 15:29:18 PST)
AMBER: GAFF + AM1BCC & small-molecule aggregation
Scott P Brown
(Wed Mar 01 2006 - 12:00:33 PST)
Re: AMBER: GAFF + AM1BCC & small-molecule aggregation
Thomas E. Cheatham, III
(Wed Mar 01 2006 - 13:17:35 PST)
Re: AMBER: GAFF + AM1BCC & small-molecule aggregation
Carlos Simmerling
(Wed Mar 01 2006 - 13:34:06 PST)
Re: AMBER: GAFF + AM1BCC & small-molecule aggregation
Carlos Simmerling
(Wed Mar 01 2006 - 14:00:40 PST)
AMBER: N-H and C-H Residual Dipolar Coupling
thenmalar
(Wed Mar 01 2006 - 14:01:52 PST)
Re: AMBER: N-H and C-H Residual Dipolar Coupling
David A. Case
(Wed Mar 01 2006 - 14:38:09 PST)
Re: AMBER: N-H and C-H Residual Dipolar Coupling
thenmalar
(Wed Mar 01 2006 - 16:59:34 PST)
AMBER: Amber 9.
Sergey Krishtal
(Wed Mar 01 2006 - 19:37:02 PST)
AMBER: G95, SGI and Amber8
Cenk Andac
(Thu Mar 02 2006 - 23:30:44 PST)
Re: AMBER: Amber 9.
David A. Case
(Fri Mar 03 2006 - 09:29:25 PST)
AMBER: Which PTRAJ distribution to use?
Chng Choon-Peng
(Wed Mar 01 2006 - 23:30:49 PST)
Re: AMBER: Which PTRAJ distribution to use?
Thomas Cheatham
(Thu Mar 02 2006 - 15:47:51 PST)
Re: AMBER: Which PTRAJ distribution to use?
Chng Choon-Peng
(Thu Mar 02 2006 - 16:27:15 PST)
AMBER: amber8 and gfortran 4.1.0
Tru Huynh
(Thu Mar 02 2006 - 08:00:00 PST)
RE: AMBER: amber8 and gfortran 4.1.0
Ross Walker
(Thu Mar 02 2006 - 08:17:49 PST)
Re: AMBER: amber8 and gfortran 4.1.0
Tru Huynh
(Thu Mar 02 2006 - 09:57:59 PST)
Re: AMBER: amber8 and gfortran 4.1.0
David A. Case
(Thu Mar 02 2006 - 10:07:05 PST)
Re: AMBER: amber8 and gfortran 4.1.0
Andreas Svrcek-Seiler
(Thu Mar 02 2006 - 08:35:16 PST)
Re: AMBER: amber8 and gfortran 4.1.0
Tru Huynh
(Thu Mar 02 2006 - 09:55:10 PST)
AMBER: AMBER 8 VS AMBER 7
venditti2.unisi.it
(Thu Mar 02 2006 - 11:54:47 PST)
Re: AMBER: AMBER 8 VS AMBER 7
David A. Case
(Thu Mar 02 2006 - 12:42:39 PST)
Re: AMBER: AMBER 8 VS AMBER 7
Carlos Simmerling
(Thu Mar 02 2006 - 13:04:09 PST)
RE: AMBER: generating parameters for the NADH analogue H4NAD
Simon Whitehead
(Thu Mar 02 2006 - 15:17:50 PST)
RE: AMBER: generating parameters for the NADH analogue H4NAD
Ross Walker
(Thu Mar 02 2006 - 15:32:27 PST)
AMBER: about Br- parameters
JAVIER PEREZ
(Fri Mar 03 2006 - 02:18:23 PST)
Re: AMBER: about Br- parameters
Vitor Manuel Sousa F?x
(Fri Mar 03 2006 - 02:28:40 PST)
Re: AMBER: about Br- parameters
Shulin Zhuang
(Fri Mar 03 2006 - 03:04:27 PST)
Re: AMBER: about Br- parameters
Mathy Froeyen
(Fri Mar 03 2006 - 06:38:42 PST)
Re: AMBER: about Br- parameters
Vitor Manuel Sousa F?x
(Fri Mar 03 2006 - 06:48:24 PST)
Re: AMBER: about Br- parameters
german
(Fri Mar 03 2006 - 02:52:50 PST)
AMBER: from Wei Zhang: flight information
Wei Zhang
(Fri Mar 03 2006 - 10:45:59 PST)
AMBER: sander restart problem
Vlad Cojocaru
(Sun Mar 05 2006 - 05:31:30 PST)
Re: AMBER: sander restart problem
Melinda Layten
(Mon Mar 06 2006 - 09:35:01 PST)
AMBER: charge neutralization with GB
Manish Datt
(Sun Mar 05 2006 - 09:27:34 PST)
AMBER: ptraj:hbond question
Yam
(Sun Mar 05 2006 - 19:09:39 PST)
AMBER: how to calculate the RMSD and B-factor for all atoms of residue
haixiao jin
(Mon Mar 06 2006 - 00:13:04 PST)
Re: AMBER: how to calculate the RMSD and B-factor for all atoms of residue
Chng Choon-Peng
(Mon Mar 06 2006 - 00:51:13 PST)
Re: AMBER: how to calculate the RMSD and B-factor for all atoms of residue
haixiao jin
(Tue Mar 07 2006 - 00:10:02 PST)
AMBER: the total energy is not converge as the cutoff increase
thanyarat Udom
(Mon Mar 06 2006 - 00:51:46 PST)
Re: AMBER: the total energy is not converge as the cutoff increase
Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini)
(Mon Mar 06 2006 - 01:28:52 PST)
Re: AMBER: the total energy is not converge as the cutoff increase
Cenk Andac
(Mon Mar 06 2006 - 05:28:04 PST)
RE: AMBER: the total energy is not converge as the cutoff increase
Ross Walker
(Mon Mar 06 2006 - 07:39:51 PST)
RE: AMBER: the total energy is not converge as the cutoff increase
thanyarat Udom
(Mon Mar 06 2006 - 23:17:23 PST)
AMBER: How to patch the configure script (macosx)
K. Yarem
(Mon Mar 06 2006 - 07:40:58 PST)
Re: AMBER: How to patch the configure script (macosx)
David A. Case
(Mon Mar 06 2006 - 10:25:16 PST)
AMBER: Problem taking the PDB to the Amber coordinates for calculations
Brian Stupi
(Mon Mar 06 2006 - 15:17:22 PST)
Re: AMBER: Problem taking the PDB to the Amber coordinates for calculations
Ilyas Yildirim
(Mon Mar 06 2006 - 15:42:29 PST)
Re: AMBER: Problem taking the PDB to the Amber coordinates for calculations
Thomas Cheatham
(Mon Mar 06 2006 - 15:51:08 PST)
Re: AMBER: Problem taking the PDB to the Amber coordinates for calculations
Brian Stupi
(Tue Mar 07 2006 - 11:30:59 PST)
Re: AMBER: Problem taking the PDB to the Amber coordinates for calculations
David A. Case
(Tue Mar 07 2006 - 11:47:30 PST)
Re: AMBER: Problem taking the PDB to the Amber coordinates for calculations
Brian Stupi
(Tue Mar 07 2006 - 11:55:13 PST)
AMBER: Different results between serial and parallel runs in AMBER 8
Ilyas Yildirim
(Mon Mar 06 2006 - 16:28:14 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
Carlos Simmerling
(Mon Mar 06 2006 - 16:33:14 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
Ilyas Yildirim
(Tue Mar 07 2006 - 05:45:01 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
David A. Case
(Tue Mar 07 2006 - 08:26:23 PST)
AMBER: MD and MMPBSA
alexandra.marques.fc.up.pt
(Wed Mar 08 2006 - 20:29:23 PST)
RE: AMBER: MD and MMPBSA
Ross Walker
(Wed Mar 08 2006 - 21:26:34 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
David A. Case
(Mon Mar 06 2006 - 18:05:31 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
Ilyas Yildirim
(Tue Mar 07 2006 - 04:51:14 PST)
Re: AMBER: Different results between serial and parallel runs in AMBER 8
David A. Case
(Tue Mar 07 2006 - 08:23:21 PST)
AMBER: rms processing
A D
(Mon Mar 06 2006 - 16:21:01 PST)
Re: AMBER: rms processing
Ilyas Yildirim
(Mon Mar 06 2006 - 16:41:37 PST)
Re: AMBER: rms processing
Jianyin Shao
(Mon Mar 20 2006 - 14:19:25 PST)
AMBER: h bond analysis
Claire Zerafa
(Mon Mar 06 2006 - 21:39:52 PST)
AMBER: Amber 8 under Solaris 9 compilation failed
Dror
(Mon Mar 06 2006 - 23:12:19 PST)
Re: AMBER: Amber 8 under Solaris 9 compilation failed
Scott Brozell
(Sun Mar 26 2006 - 23:16:27 PST)
AMBER: Amber 8 under Solaris 9 compilation failed
Dror
(Mon Mar 06 2006 - 23:03:03 PST)
Re: AMBER: Amber 8 under Solaris 9 compilation failed
David A. Case
(Tue Mar 07 2006 - 08:35:35 PST)
AMBER: ptraj: hbond analysis
Yam
(Tue Mar 07 2006 - 00:03:08 PST)
AMBER: Trouble with combining a non-standard residue with a protein of standard residue
Nitin Bhardwaj
(Tue Mar 07 2006 - 13:21:44 PST)
Re: AMBER: Trouble with combining a non-standard residue with a protein of standard residue
FyD
(Wed Mar 08 2006 - 21:37:07 PST)
AMBER: question about solvatecap commander
aini.umdnj.edu
(Tue Mar 07 2006 - 18:46:41 PST)
Re: AMBER: question about solvatecap commander
mfyang
(Tue Mar 07 2006 - 19:07:08 PST)
Re: AMBER: question about solvatecap commander
David A. Case
(Tue Mar 07 2006 - 19:32:12 PST)
AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed
snowyowls
(Tue Mar 07 2006 - 23:18:02 PST)
Re: AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed
David A. Case
(Wed Mar 08 2006 - 08:46:55 PST)
AMBER: NADP(H) parameters
Simon Whitehead
(Wed Mar 08 2006 - 02:06:45 PST)
Re: AMBER: NADP(H) parameters
David A. Case
(Wed Mar 08 2006 - 08:26:04 PST)
AMBER:
Dror
(Wed Mar 08 2006 - 02:09:28 PST)
AMBER: converting .lib files
Simon Whitehead
(Wed Mar 08 2006 - 02:51:25 PST)
Re: AMBER: converting .lib files
David A. Case
(Wed Mar 08 2006 - 08:06:38 PST)
AMBER: Cosine content calculation
matteo filandri
(Wed Mar 08 2006 - 07:59:58 PST)
Re: AMBER: Cosine content calculation
David A. Case
(Wed Mar 08 2006 - 12:09:54 PST)
Re: AMBER: Cosine content calculation
matteo filandri
(Thu Mar 09 2006 - 02:01:20 PST)
Re: AMBER: Cosine content calculation
David A. Case
(Thu Mar 09 2006 - 08:33:53 PST)
Re: AMBER: Cosine content calculation
Hannes Loeffler
(Thu Mar 09 2006 - 17:02:48 PST)
Re: AMBER: converting .lib files
Bill Ross
(Wed Mar 08 2006 - 08:30:17 PST)
AMBER: modeling a non-standard molecule.
Nitin Bhardwaj
(Wed Mar 08 2006 - 13:02:50 PST)
Re: AMBER: modeling a non-standard molecule.
Bill Ross
(Wed Mar 08 2006 - 13:47:50 PST)
Re: AMBER: modeling a non-standard molecule.
Bill Ross
(Wed Mar 08 2006 - 13:19:21 PST)
Re: AMBER: modeling a non-standard molecule.
Nitin Bhardwaj
(Wed Mar 08 2006 - 13:27:10 PST)
AMBER: aligning polymer with Z-axis of periodic box
Kenley Barrett
(Wed Mar 08 2006 - 13:59:18 PST)
Re: AMBER: aligning polymer with Z-axis of periodic box
Ilyas Yildirim
(Wed Mar 08 2006 - 14:54:22 PST)
Re: AMBER: aligning polymer with Z-axis of periodic box
Kenley Barrett
(Wed Mar 08 2006 - 17:26:12 PST)
AMBER: bond parameters for positively charged guanidine group
Ye Mei
(Wed Mar 08 2006 - 18:54:15 PST)
Re: AMBER: bond parameters for positively charged guanidine group
Ilyas Yildirim
(Wed Mar 08 2006 - 22:18:29 PST)
Re: Re: AMBER: bond parameters for positively charged guanidine group
Ye Mei
(Wed Mar 08 2006 - 22:35:51 PST)
Re: Re: AMBER: bond parameters for positively charged guanidine group
Ilyas Yildirim
(Wed Mar 08 2006 - 23:22:17 PST)
Re: Re: AMBER: bond parameters for positively charged guanidine group
FyD
(Thu Mar 09 2006 - 00:22:05 PST)
Re: Re: Re: AMBER: bond parameters for positively charged guanidine group
Ye Mei
(Thu Mar 09 2006 - 00:40:14 PST)
Re: Re: Re: AMBER: bond parameters for positively charged guanidine group
Bill Ross
(Thu Mar 09 2006 - 11:24:57 PST)
Re: Re: Re: Re: AMBER: bond parameters for positively charged guanidine group
Ye Mei
(Sat Mar 11 2006 - 09:01:53 PST)
Re: Re: Re: Re: AMBER: bond parameters for positively charged guanidine group
Bill Ross
(Sat Mar 11 2006 - 10:37:16 PST)
AMBER: prepin format
nkyx.sohu.com
(Wed Mar 08 2006 - 19:18:15 PST)
Re: AMBER: prepin format
David A. Case
(Thu Mar 09 2006 - 22:49:22 PST)
AMBER: CPU utilization with Parallel Sander
Jingyuan Luke
(Thu Mar 09 2006 - 04:14:01 PST)
RE: AMBER: CPU utilization with Parallel Sander
Ross Walker
(Thu Mar 09 2006 - 08:23:08 PST)
AMBER: Power Mac G5
Shuting Wei
(Thu Mar 09 2006 - 15:32:44 PST)
Re: AMBER: Power Mac G5
David A. Case
(Thu Mar 09 2006 - 16:14:54 PST)
AMBER: RE: hi & question
Ross Walker
(Thu Mar 09 2006 - 14:14:02 PST)
AMBER: Antechamber calculations
Varsha Goyal
(Fri Mar 10 2006 - 11:26:08 PST)
Re: AMBER: Antechamber calculations
Vitor Manuel Sousa F?x
(Fri Mar 10 2006 - 12:03:53 PST)
Re: AMBER: Antechamber calculations
Varsha Goyal
(Fri Mar 10 2006 - 15:47:41 PST)
AMBER: error while running sander
snoze pa
(Fri Mar 10 2006 - 20:23:54 PST)
Re: AMBER: error while running sander
Thomas Cheatham
(Fri Mar 10 2006 - 20:41:16 PST)
AMBER: Input conversion error.
Sergey Krishtal
(Sat Mar 11 2006 - 05:46:47 PST)
Re: AMBER: Input conversion error.
Carlos Simmerling
(Sat Mar 11 2006 - 11:23:29 PST)
Re[2]: AMBER: Input conversion error.
Sergey Krishtal
(Mon Mar 13 2006 - 06:52:23 PST)
AMBER: divalent ions
Ioana Cozmuta
(Sat Mar 11 2006 - 11:04:00 PST)
AMBER: using MM_PBSA just for binding site, feasible ???
tonglei
(Sat Mar 11 2006 - 22:53:44 PST)
AMBER: Suitable water box
simon whitehead
(Mon Mar 13 2006 - 04:07:48 PST)
Re: AMBER: Suitable water box
Jianzhong Liu
(Mon Mar 13 2006 - 08:20:52 PST)
AMBER: amber 8 install problem
qiwenpeng.sinap.ac.cn
(Mon Mar 13 2006 - 05:22:01 PST)
Re: AMBER: amber 8 install problem
David A. Case
(Mon Mar 13 2006 - 10:44:40 PST)
Re: AMBER: amber 8 install problem
qiwenpeng.sinap.ac.cn
(Wed Mar 15 2006 - 06:27:00 PST)
Re: AMBER: amber 8 install problem
David A. Case
(Wed Mar 15 2006 - 12:33:08 PST)
Re: AMBER: amber 8 install problem
David A. Case
(Wed Mar 15 2006 - 14:00:08 PST)
AMBER:
Steve Seibold
(Mon Mar 13 2006 - 06:17:41 PST)
Re: AMBER:
David A. Case
(Mon Mar 13 2006 - 10:40:19 PST)
Re: AMBER:
Ilyas Yildirim
(Mon Mar 13 2006 - 13:35:30 PST)
AMBER: NTT for production run
snoze pa
(Mon Mar 13 2006 - 10:03:32 PST)
Re: AMBER: NTT for production run
Vlad Cojocaru
(Tue Mar 14 2006 - 00:44:35 PST)
AMBER: Xleap 64 bit installation problem
Cenk Andac
(Tue Mar 14 2006 - 03:37:18 PST)
Re: AMBER: Xleap 64 bit installation problem
Andreas Svrcek-Seiler
(Tue Mar 14 2006 - 04:16:47 PST)
Re: AMBER: Xleap 64 bit installation problem
David A. Case
(Tue Mar 14 2006 - 18:06:30 PST)
Re: AMBER: NTT for production run
David A. Case
(Tue Mar 14 2006 - 17:49:46 PST)
Re: AMBER: NTT for production run
Vlad Cojocaru
(Wed Mar 15 2006 - 00:53:46 PST)
RE: AMBER: NTT for production run
Ross Walker
(Wed Mar 15 2006 - 08:21:50 PST)
Re: AMBER: NTT for production run
snoze pa
(Wed Mar 15 2006 - 09:03:22 PST)
AMBER: Zoom
Angelo
(Thu Mar 16 2006 - 02:24:39 PST)
Re: AMBER: Zoom
Laurent Chiche
(Thu Mar 16 2006 - 07:37:38 PST)
Re: AMBER: Zoom
Angelo
(Thu Mar 16 2006 - 07:57:32 PST)
Re: AMBER: Zoom
Laurent Chiche
(Thu Mar 16 2006 - 08:40:42 PST)
Re: AMBER: Zoom
Angelo
(Thu Mar 16 2006 - 09:04:05 PST)
Re: AMBER: Zoom
Ilyas Yildirim
(Thu Mar 16 2006 - 11:50:12 PST)
Re: AMBER: NTT for production run
David A. Case
(Wed Mar 15 2006 - 12:21:52 PST)
Re: AMBER: NTT for production run
Vlad Cojocaru
(Thu Mar 16 2006 - 01:56:46 PST)
Re: AMBER: NTT for production run
David A. Case
(Thu Mar 16 2006 - 10:00:54 PST)
Re: AMBER: NTT for production run
Vlad Cojocaru
(Fri Mar 17 2006 - 01:16:36 PST)
AMBER: nucgen error
bala
(Tue Mar 14 2006 - 07:35:11 PST)
Re: AMBER: nucgen error
Bill Ross
(Tue Mar 14 2006 - 09:06:16 PST)
AMBER: divalent ions
Ioana Cozmuta
(Tue Mar 14 2006 - 11:54:49 PST)
Re: AMBER: divalent ions
Thomas E. Cheatham, III
(Tue Mar 14 2006 - 14:10:19 PST)
AMBER: quistions about pbsa cacultaion
snowyowls
(Tue Mar 14 2006 - 17:26:12 PST)
Re: AMBER: quistions about pbsa cacultaion
Ray Luo
(Sun Mar 12 2006 - 23:26:53 PST)
Re: AMBER: quistions about pbsa cacultaion
snowyowls
(Tue Mar 14 2006 - 18:43:46 PST)
Re: AMBER: quistions about pbsa cacultaion
Ray Luo
(Wed Mar 15 2006 - 09:36:56 PST)
AMBER: k-space cutoff with standard Ewald
Guowen
(Wed Mar 15 2006 - 08:29:33 PST)
AMBER: mm-pbsa
vorasit vongsutilers
(Thu Mar 16 2006 - 07:34:33 PST)
Re: AMBER: mm-pbsa
Holger Gohlke
(Thu Mar 16 2006 - 09:33:20 PST)
Re: AMBER: mm-pbsa
vorasit vongsutilers
(Fri Mar 17 2006 - 06:03:15 PST)
Re: AMBER: mm-pbsa
Scott Pendley
(Fri Mar 17 2006 - 15:41:30 PST)
Re: AMBER: mm-pbsa
vorasit vongsutilers
(Sun Mar 19 2006 - 09:45:15 PST)
Re: AMBER: mm-pbsa
Scott Pendley
(Mon Mar 20 2006 - 10:06:38 PST)
AMBER: faulty ambpdb compilation?
Benjamin Juhl
(Thu Mar 16 2006 - 10:16:12 PST)
RE: AMBER: faulty ambpdb compilation?
Ross Walker
(Thu Mar 16 2006 - 10:44:23 PST)
Re: AMBER: faulty ambpdb compilation?
Benjamin Juhl
(Thu Mar 16 2006 - 10:51:47 PST)
AMBER: constant pH simulation
Abhilash Mohan
(Thu Mar 16 2006 - 11:14:47 PST)
Re: AMBER: constant pH simulation
John Mongan
(Tue Mar 21 2006 - 15:51:53 PST)
AMBER: prep files for L-sugar residues
Qizhi Cui
(Fri Mar 17 2006 - 18:42:56 PST)
AMBER: Ewald and ibelly
Austin B. Yongye
(Sun Mar 19 2006 - 08:36:53 PST)
Re: AMBER: Ewald and ibelly
David A. Case
(Sun Mar 19 2006 - 22:26:17 PST)
Re: AMBER: dynamic memory allocation problem in nmode
Cenk Andac
(Sun Mar 19 2006 - 01:10:22 PST)
AMBER:
emilia wu
(Mon Mar 20 2006 - 04:38:17 PST)
Re: AMBER:
David A. Case
(Mon Mar 20 2006 - 22:36:09 PST)
AMBER: MMPBSA
alexandra.marques.fc.up.pt
(Tue Mar 21 2006 - 01:58:35 PST)
AMBER: energy conservation in NVE ensemble (ntt=0, ntb=1)
Vlad Cojocaru
(Mon Mar 20 2006 - 08:40:37 PST)
AMBER: a challenge: a periodic box that cuts through a monomer
Kenley Barrett
(Mon Mar 20 2006 - 14:06:49 PST)
Re: AMBER: a challenge: a periodic box that cuts through a monomer
David A. Case
(Mon Mar 20 2006 - 22:29:33 PST)
AMBER: anal: dihedral error
renyanliang
(Mon Mar 20 2006 - 17:27:39 PST)
Re: AMBER: anal: dihedral error
David A. Case
(Sat Mar 25 2006 - 12:48:36 PST)
AMBER: heating system
snoze pa
(Tue Mar 21 2006 - 13:58:25 PST)
RE: AMBER: heating system
Ross Walker
(Tue Mar 21 2006 - 15:09:28 PST)
Re: AMBER: heating system
snoze pa
(Tue Mar 21 2006 - 15:39:15 PST)
RE: AMBER: heating system
Ross Walker
(Wed Mar 22 2006 - 08:58:12 PST)
RE: AMBER: heating system
Ross Walker
(Fri Mar 24 2006 - 09:29:32 PST)
AMBER: About statistics results in MMPBSA_DC pair
莉 张
(Wed Mar 22 2006 - 07:22:17 PST)
AMBER: Related to RESTRAINT_WT
snoze pa
(Wed Mar 22 2006 - 14:06:04 PST)
Re: AMBER: Related to RESTRAINT_WT
David A. Case
(Wed Mar 22 2006 - 16:15:29 PST)
Re: AMBER: Related to RESTRAINT_WT
Chng Choon-Peng
(Wed Mar 22 2006 - 16:16:13 PST)
AMBER: Solvating the system with specific number of water molecules...
Ilyas Yildirim
(Wed Mar 22 2006 - 21:50:25 PST)
AMBER: about atomic fluctuation & RMSF
xueping
(Thu Mar 23 2006 - 02:05:03 PST)
Re: AMBER: about atomic fluctuation & RMSF
Holger Gohlke
(Thu Mar 23 2006 - 05:01:14 PST)
Re: AMBER: about atomic fluctuation & RMSF
xueping
(Sun Mar 26 2006 - 18:39:45 PST)
AMBER: question capping helix ends
Zhuang
(Thu Mar 23 2006 - 02:35:21 PST)
Re: AMBER: question capping helix ends
Vlad Cojocaru
(Thu Mar 23 2006 - 02:48:14 PST)
AMBER: what is unit of the out put of mmpbsa caculation
snowyowls
(Thu Mar 23 2006 - 04:47:52 PST)
Re: AMBER: what is unit of the out put of mmpbsa caculation
Holger Gohlke
(Thu Mar 23 2006 - 04:53:51 PST)
AMBER: Average pdb
Claire Zerafa
(Thu Mar 23 2006 - 13:17:33 PST)
RE: AMBER: Average pdb
John Jett
(Thu Mar 23 2006 - 14:32:00 PST)
AMBER: question capping helix ends
Zhuang
(Thu Mar 23 2006 - 16:21:06 PST)
Re: AMBER: question capping helix ends
Cenk Andac
(Fri Mar 24 2006 - 01:09:11 PST)
Re: AMBER: question capping helix ends
Vlad Cojocaru
(Fri Mar 24 2006 - 02:51:24 PST)
AMBER: Parmtop file: ANGLE_EQUIL_VALUE actually in radians?
amanda.mccook.gatech.edu
(Thu Mar 23 2006 - 20:32:39 PST)
RE: AMBER: Parmtop file: ANGLE_EQUIL_VALUE actually in radians?
Ross Walker
(Thu Mar 23 2006 - 21:38:24 PST)
AMBER: negative values of PBSOL and PBCAL in mm_pbsa result
tonglei
(Sun Mar 26 2006 - 18:07:47 PST)
AMBER: temp control
snoze pa
(Sun Mar 26 2006 - 19:16:20 PST)
To dac --AMBER: anal: dihedral error
莉 张
(Sun Mar 26 2006 - 22:43:22 PST)
AMBER: OSX 10.4 G4 xlf90 compilation errors
K. Yarem
(Mon Mar 27 2006 - 12:06:59 PST)
Re: AMBER: OSX 10.4 G4 xlf90 compilation errors
David Case
(Mon Mar 27 2006 - 12:18:27 PST)
AMBER: How to give the specific pressure parameter for NTP=2
hbluo
(Tue Mar 28 2006 - 09:29:48 PST)
AMBER: united atoms
nadiav.soton.ac.uk
(Tue Mar 28 2006 - 03:04:53 PST)
AMBER: amber8 error installation
Abd Ghani Abd Aziz
(Tue Mar 28 2006 - 07:14:59 PST)
Re: AMBER: amber8 error installation
Mark Williamson
(Tue Mar 28 2006 - 07:23:28 PST)
Re: AMBER: amber8 error installation
Abd Ghani Abd Aziz
(Tue Mar 28 2006 - 07:44:42 PST)
Re: AMBER: amber8 error installation
Mark Williamson
(Tue Mar 28 2006 - 08:08:46 PST)
Re: AMBER: amber8 error installation
Abd Ghani Abd Aziz
(Tue Mar 28 2006 - 08:27:37 PST)
RE: AMBER: amber8 error installation
Ross Walker
(Tue Mar 28 2006 - 08:37:34 PST)
RE: AMBER: amber8 error installation
John Bushnell
(Tue Mar 28 2006 - 18:20:42 PST)
RE: AMBER: amber8 error installation
Ross Walker
(Tue Mar 28 2006 - 20:35:03 PST)
Re: AMBER: united atoms
Bill Ross
(Tue Mar 28 2006 - 09:02:01 PST)
AMBER: hessian calculation
sebnem
(Tue Mar 28 2006 - 13:48:19 PST)
Re: AMBER: hessian calculation
David A. Case
(Tue Mar 28 2006 - 15:52:14 PST)
Re: AMBER: hessian calculation
sebnem.mercury.chem.pitt.edu
(Tue Mar 28 2006 - 16:20:18 PST)
Re: AMBER: hessian calculation
David A. Case
(Tue Mar 28 2006 - 18:15:58 PST)
Re: AMBER: hessian calculation
sebnem
(Tue Mar 28 2006 - 18:41:52 PST)
Re: AMBER: hessian calculation
sebnem
(Tue Mar 28 2006 - 18:53:59 PST)
Re: AMBER: hessian calculation
sebnem.mercury.chem.pitt.edu
(Wed Mar 29 2006 - 13:48:38 PST)
Re: AMBER: hessian calculation
David A. Case
(Wed Mar 29 2006 - 16:08:34 PST)
Re: AMBER: hessian calculation
sebnem
(Thu Mar 30 2006 - 08:22:23 PST)
AMBER: AMBER : About the kinetic energy and temperature (GBSA model)
James W
(Tue Mar 28 2006 - 18:00:46 PST)
Re: AMBER: AMBER : About the kinetic energy and temperature (GBSA model)
David A. Case
(Tue Mar 28 2006 - 18:13:44 PST)
Fw: AMBER: AMBER : About the kinetic energy and temperature (GBSA model)
James W
(Tue Mar 28 2006 - 19:44:42 PST)
Re: Fw: AMBER: AMBER : About the kinetic energy and temperature (GBSA model)
Thomas Cheatham
(Tue Mar 28 2006 - 20:32:37 PST)
RE: AMBER: AMBER : About the kinetic energy and temperature (GBSA model)
Ross Walker
(Tue Mar 28 2006 - 20:35:03 PST)
AMBER: installation problem
r. a.
(Tue Mar 28 2006 - 19:21:50 PST)
Re: AMBER: installation problem
Mark Williamson
(Tue Mar 28 2006 - 19:40:27 PST)
Re: AMBER: installation problem
Abd Ghani Abd Aziz
(Tue Mar 28 2006 - 19:50:08 PST)
AMBER: Impropers definition
egorov
(Tue Mar 28 2006 - 22:06:40 PST)
Re: AMBER: Impropers definition
David A. Case
(Wed Mar 29 2006 - 09:10:27 PST)
AMBER: Simulating a periodic crystal
Jiang Jianwen
(Wed Mar 29 2006 - 07:01:26 PST)
Re: AMBER: Simulating a periodic crystal
Thomas Cheatham
(Wed Mar 29 2006 - 07:57:10 PST)
RE: AMBER: Simulating a periodic crystal
Jiang Jianwen
(Fri Mar 31 2006 - 03:31:47 PST)
AMBER: Announcement: Amber 9 is now available
David A. Case
(Wed Mar 29 2006 - 08:43:59 PST)
Re: AMBER: Announcement: Amber 9 is now available
David E. Konerding
(Fri Mar 31 2006 - 08:38:06 PST)
Re: AMBER: Announcement: Amber 9 is now available
David A. Case
(Fri Mar 31 2006 - 08:56:48 PST)
Re: AMBER: Announcement: Amber 9 is now available
David A. Case
(Fri Mar 31 2006 - 09:29:54 PST)
AMBER: Dimer Image Wrapping
Melinda Layten
(Wed Mar 29 2006 - 15:12:00 PST)
Re: AMBER: Dimer Image Wrapping
Scott Pendley
(Thu Mar 30 2006 - 09:29:23 PST)
Re: AMBER: Dimer Image Wrapping
Melinda Layten
(Thu Mar 30 2006 - 10:16:06 PST)
AMBER: post-processing replica exchange trajectory
Zhuang
(Wed Mar 29 2006 - 15:57:43 PST)
AMBER: Problem with setbox command...
Ilyas Yildirim
(Wed Mar 29 2006 - 23:44:37 PST)
Re: AMBER: Problem with setbox command...
David A. Case
(Thu Mar 30 2006 - 08:06:04 PST)
Re: AMBER: Problem with setbox command...
Ilyas Yildirim
(Fri Mar 31 2006 - 04:34:33 PST)
AMBER: charge constraints in resp
Kenley Barrett
(Thu Mar 30 2006 - 08:22:36 PST)
Re: AMBER: charge constraints in resp
Ilyas Yildirim
(Thu Mar 30 2006 - 09:03:43 PST)
Re: AMBER: charge constraints in resp
Kenley Barrett
(Thu Mar 30 2006 - 11:46:49 PST)
Re: AMBER: charge constraints in resp
Ilyas Yildirim
(Thu Mar 30 2006 - 16:05:35 PST)
AMBER: Gromos to Amber
Ann Vilan Tran
(Thu Mar 30 2006 - 11:29:07 PST)
AMBER: LES error
Claudia Steinert
(Thu Mar 30 2006 - 23:59:36 PST)
AMBER: Ptraj & pca
Claire Zerafa
(Fri Mar 31 2006 - 06:23:05 PST)
AMBER: MMPBSA & PBCAL
Rabal Gracia María Obdulia
(Fri Mar 31 2006 - 07:37:57 PST)
AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE
fine wu
(Fri Mar 31 2006 - 14:09:36 PST)
Re: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE
Thomas E. Cheatham, III
(Fri Mar 31 2006 - 14:18:57 PST)
Re: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE
Ilyas Yildirim
(Fri Mar 31 2006 - 16:46:03 PST)
AMBER: chirality.c error in xleap
Kenley Barrett
(Fri Mar 31 2006 - 14:43:33 PST)
Re: AMBER: chirality.c error in xleap
David A. Case
(Fri Mar 31 2006 - 17:41:53 PST)
Last message date
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Sun Apr 02 2006 - 06:10:17 PDT
Archived on
: Wed Dec 25 2024 - 05:53:31 PST
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