Amber Archive Jan 2010 by thread
526 messages
:
Starting
Thu Dec 31 2009 - 21:00:03 PST,
Ending
Sun Jan 31 2010 - 15:30:03 PST
This period
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Re: [AMBER] Zinc parameters?
vhakkim boy
(Thu Dec 31 2009 - 20:56:50 PST)
[AMBER] problem with MM-PBSA
Maryam Hamzehee
(Sat Jan 02 2010 - 00:48:16 PST)
Re: [AMBER] problem with MM-PBSA
case
(Sat Jan 02 2010 - 06:02:13 PST)
Re: [AMBER] problem with MM-PBSA
Maryam Hamzehee
(Sat Jan 02 2010 - 11:43:35 PST)
Re: [AMBER] problem with MM-PBSA
Ray Luo, Ph.D.
(Sat Jan 02 2010 - 16:39:00 PST)
Re: [AMBER] problem with MM-PBSA
Jason Swails
(Sat Jan 02 2010 - 06:03:24 PST)
Re: [AMBER] problem with MM-PBSA
Maryam Hamzehee
(Sat Jan 02 2010 - 22:15:32 PST)
Re: [AMBER] problem with MM-PBSA
Ray Luo, Ph.D.
(Sat Jan 02 2010 - 22:56:22 PST)
Re: [AMBER] problem with MM-PBSA
Maryam Hamzehee
(Sat Jan 02 2010 - 23:24:48 PST)
Re: [AMBER] problem with MM-PBSA
Ray Luo, Ph.D.
(Sun Jan 03 2010 - 16:51:07 PST)
[AMBER] Enquiry regarding MD run
bharat lakhani
(Sat Jan 02 2010 - 05:26:46 PST)
Re: [AMBER] Enquiry regarding MD run
case
(Sat Jan 02 2010 - 06:08:05 PST)
Re: [AMBER] Enquiry regarding MD run
bharat lakhani
(Mon Jan 04 2010 - 00:10:45 PST)
Re: [AMBER] Enquiry regarding MD run
Jason Swails
(Mon Jan 04 2010 - 04:37:51 PST)
[AMBER] vlimit exceeded
John S
(Sat Jan 02 2010 - 07:15:12 PST)
Re: [AMBER] vlimit exceeded
xmzpzengs
(Sat Jan 02 2010 - 07:32:50 PST)
Re: [AMBER] vlimit exceeded
John S
(Sat Jan 02 2010 - 08:03:31 PST)
Re: [AMBER] vlimit exceeded
Jason Swails
(Sat Jan 02 2010 - 10:26:07 PST)
Re: [AMBER] vlimit exceeded
Jackie. J. Shen
(Mon Jan 04 2010 - 16:55:25 PST)
[AMBER] low concentration simulation ?
Chih-Ying Lin
(Mon Jan 04 2010 - 22:57:41 PST)
[AMBER] low concentration simulation ?
Chih-Ying Lin
(Mon Jan 04 2010 - 23:20:40 PST)
Re: [AMBER] low concentration simulation ?
case
(Tue Jan 05 2010 - 05:11:20 PST)
回覆：Re: [AMBER] low concentration simulation ?
Chih-Ying Lin
(Tue Jan 05 2010 - 13:39:21 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
steinbrt.rci.rutgers.edu
(Wed Jan 06 2010 - 05:44:45 PST)
Re: [AMBER] vlimit exceeded
mani grover
(Fri Jan 08 2010 - 04:30:48 PST)
Re: [AMBER] vlimit exceeded
case
(Fri Jan 08 2010 - 06:06:06 PST)
[AMBER] C60 molecules interaction using GAFF?
Chun-Wei Pao
(Sun Jan 03 2010 - 06:48:08 PST)
[AMBER] How to calculate torsional energy between two chiral carbons?
Dean Cuebas
(Sun Jan 03 2010 - 17:02:42 PST)
[AMBER] error with mm-pbsa.py: no output value of VDWAALS from Sander
xueqin pang
(Mon Jan 04 2010 - 00:56:18 PST)
Re: [AMBER] error with mm-pbsa.py: no output value of VDWAALS from Sander
Jason Swails
(Mon Jan 04 2010 - 04:32:52 PST)
Re: [AMBER] hbond analysis
Thomas Cheatham III
(Mon Jan 04 2010 - 09:07:18 PST)
[AMBER] Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Mon Jan 04 2010 - 12:20:38 PST)
[AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Mon Jan 04 2010 - 12:39:14 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
case
(Mon Jan 04 2010 - 12:49:00 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Mon Jan 04 2010 - 14:14:13 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Mon Jan 04 2010 - 14:22:16 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Mengjuei Hsieh
(Mon Jan 04 2010 - 23:41:44 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Wed Jan 06 2010 - 09:00:26 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
case
(Wed Jan 06 2010 - 09:17:52 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Marek Maly
(Wed Jan 06 2010 - 12:51:15 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Jason Swails
(Wed Jan 06 2010 - 13:00:08 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Mengjuei Hsieh
(Wed Jan 06 2010 - 13:01:17 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Marek Maly
(Wed Jan 06 2010 - 13:08:21 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
Lixia Jin Day
(Thu Jan 07 2010 - 12:36:58 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
case
(Thu Jan 07 2010 - 14:52:34 PST)
Re: Re: [AMBER] ptraj usage for clustering of protein ensembles manual or tutorial
Andrew Voronkov
(Mon Jan 04 2010 - 13:33:23 PST)
[AMBER] energy per residue
Hemant Kumar
(Mon Jan 04 2010 - 22:52:29 PST)
Re: [AMBER] energy per residue
case
(Tue Jan 05 2010 - 05:43:03 PST)
Re: [AMBER] energy per residue
Hemant Kumar
(Wed Jan 06 2010 - 01:29:28 PST)
Re: [AMBER] energy per residue
case
(Wed Jan 06 2010 - 05:36:26 PST)
[lachele.gmail.com: Re: [songlin.moon.ibp.ac.cn: [AMBER] a problem in building oligosaccharides using LEaP]]
case
(Tue Jan 05 2010 - 04:50:28 PST)
[AMBER] TI - SHAKE lists are not compatible in the two groups!
Oliver Kuhn
(Tue Jan 05 2010 - 05:43:20 PST)
[AMBER] TI - SHAKE lists are not compatible in the two groups!
Oliver Kuhn
(Tue Jan 05 2010 - 06:33:35 PST)
Re: [AMBER] TI - SHAKE lists are not compatible in the two groups!
steinbrt.rci.rutgers.edu
(Tue Jan 05 2010 - 07:11:38 PST)
RE: [AMBER] antechamber bond type error
Mark M Huntress
(Tue Jan 05 2010 - 16:18:51 PST)
Re: [AMBER] antechamber bond type error
case
(Tue Jan 05 2010 - 20:36:15 PST)
Re: [AMBER] antechamber bond type error
Dean Cuebas
(Tue Jan 05 2010 - 21:48:41 PST)
RE: [AMBER] antechamber bond type error
Mark M Huntress
(Wed Jan 06 2010 - 13:10:25 PST)
[AMBER] mm-pbsa error
Anuradha Mittal
(Tue Jan 05 2010 - 19:39:57 PST)
Re: [AMBER] mm-pbsa error
Ray Luo
(Wed Jan 06 2010 - 10:52:03 PST)
[AMBER] ff99SB in DNA tutorial
Donald Thomas
(Tue Jan 05 2010 - 20:31:02 PST)
RE: [AMBER] ff99SB in DNA tutorial
Ross Walker
(Tue Jan 05 2010 - 20:43:27 PST)
Re: [AMBER] ff99SB in DNA tutorial
case
(Tue Jan 05 2010 - 20:52:40 PST)
[AMBER] QM/MM in reaction pathway
欧阳德方
(Tue Jan 05 2010 - 21:46:13 PST)
[AMBER] Error: PB bomb in pb_reslist(): maxnbr too small
xueqin pang
(Wed Jan 06 2010 - 05:23:31 PST)
Re: [AMBER] Error: PB bomb in pb_reslist(): maxnbr too small
Ray Luo
(Wed Jan 06 2010 - 11:04:18 PST)
[AMBER] PDB file
Ganesh Kamath
(Wed Jan 06 2010 - 05:56:26 PST)
[AMBER] low concentration simulation ?
Chih-Ying Lin
(Wed Jan 06 2010 - 13:30:32 PST)
Re: [AMBER] low concentration simulation ?
Dean Cuebas
(Wed Jan 06 2010 - 14:49:22 PST)
回覆：Re: [AMBER] low concentration simulation ?
Chih-Ying Lin
(Wed Jan 06 2010 - 15:50:52 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
steinbrt.rci.rutgers.edu
(Thu Jan 07 2010 - 02:32:09 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
mani grover
(Thu Jan 07 2010 - 05:39:10 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
Jason Swails
(Thu Jan 07 2010 - 05:43:25 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
mani grover
(Thu Jan 07 2010 - 05:57:03 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
mani grover
(Thu Jan 07 2010 - 06:05:15 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
Jason Swails
(Thu Jan 07 2010 - 06:09:52 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
mani grover
(Thu Jan 07 2010 - 06:11:02 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
steinbrt.rci.rutgers.edu
(Thu Jan 07 2010 - 06:11:22 PST)
[AMBER] MM-PBSA exist when "Calc delta from raw data"
xueqin pang
(Thu Jan 07 2010 - 01:44:33 PST)
[AMBER] Atom number ****
Fernando Martín García
(Thu Jan 07 2010 - 06:09:39 PST)
Re: [AMBER] Atom number ****
Jason Swails
(Thu Jan 07 2010 - 06:35:53 PST)
Re: [AMBER] Atom number ****
Fernando Martín García
(Thu Jan 07 2010 - 07:09:18 PST)
Re: [AMBER] Atom number ****
case
(Thu Jan 07 2010 - 07:29:15 PST)
Re: [AMBER] Atom number ****
Fernando Martín García
(Thu Jan 07 2010 - 07:47:42 PST)
Re: [AMBER] Atom number ****
case
(Thu Jan 07 2010 - 08:19:17 PST)
Re: [AMBER] Atom number ****
Fernando Martín García
(Fri Jan 08 2010 - 05:45:33 PST)
[AMBER] A note on computing bcc charges in AmberTools1.3
case
(Thu Jan 07 2010 - 07:15:19 PST)
[AMBER] Amber parameters and resp charge for Fe (or Zn)
Hari Lamichhane
(Thu Jan 07 2010 - 07:44:45 PST)
Re: [AMBER] Amber parameters and resp charge for Fe (or Zn)
FyD
(Thu Jan 07 2010 - 13:31:31 PST)
RE: [AMBER] Amber parameters and resp charge for Fe (or Zn)
Ross Walker
(Thu Jan 07 2010 - 15:08:44 PST)
[AMBER] how to compute the hyphobic surface area
qiaoyan
(Thu Jan 07 2010 - 18:46:59 PST)
Re: [AMBER] how to compute the hyphobic surface area
Ray Luo
(Thu Jan 07 2010 - 19:02:39 PST)
[AMBER] AMBER9 - mm_pbsa error: bad atom type
Stephan Jakobi
(Fri Jan 08 2010 - 00:12:40 PST)
Re: Re: [AMBER] non standart residue library creation with tleap (Zn atom)
Andrew Voronkov
(Fri Jan 08 2010 - 01:09:39 PST)
[AMBER] Error with mm-pbsa amber10
xueqin pang
(Fri Jan 08 2010 - 07:24:25 PST)
Re: [AMBER] Error with mm-pbsa amber10
Mengjuei Hsieh
(Fri Jan 08 2010 - 11:38:14 PST)
: [AMBER] Error
mani grover
(Fri Jan 08 2010 - 22:33:51 PST)
Re: : [AMBER] Error
mani grover
(Sat Jan 09 2010 - 01:00:48 PST)
Re: : [AMBER] Error
Carlos Simmerling
(Sat Jan 09 2010 - 04:39:37 PST)
[AMBER] Add residue from PDB file
Xihui Yin
(Sat Jan 09 2010 - 00:08:45 PST)
Re: [AMBER] Add residue from PDB file
case
(Sat Jan 09 2010 - 06:01:37 PST)
Re: [AMBER] Add residue from PDB file
Dean Cuebas
(Sat Jan 09 2010 - 16:39:44 PST)
[AMBER] -bash: kclust: command not found
qiaoyan
(Sat Jan 09 2010 - 03:57:56 PST)
Re: [AMBER] -bash: kclust: command not found
case
(Sat Jan 09 2010 - 06:07:45 PST)
[AMBER] Re: error when doing mm-pbsa
xueqin pang
(Sat Jan 09 2010 - 05:27:10 PST)
Re: [AMBER] Re: error when doing mm-pbsa
Ray Luo
(Mon Jan 11 2010 - 11:22:25 PST)
[AMBER] pucker: Error in specification of the first mask
qiaoyan
(Sat Jan 09 2010 - 17:44:36 PST)
Re: [AMBER] pucker: Error in specification of the first mask
Thomas Cheatham III
(Tue Jan 12 2010 - 10:14:47 PST)
[AMBER] rmsd problem
luzhenw1.msu.edu
(Sun Jan 10 2010 - 12:34:24 PST)
Re: [AMBER] rmsd problem
Carlos Simmerling
(Sun Jan 10 2010 - 12:49:52 PST)
Re: [AMBER] rmsd problem
luzhenw1.msu.edu
(Sun Jan 10 2010 - 19:22:27 PST)
Re: [AMBER] rmsd problem
Bill Ross
(Mon Jan 11 2010 - 10:15:10 PST)
Re: [AMBER] rmsd problem
luzhenw1.msu.edu
(Mon Jan 11 2010 - 14:12:26 PST)
Re: [AMBER] rmsd problem
Bill Ross
(Mon Jan 11 2010 - 17:31:02 PST)
Re: [AMBER] rmsd problem
luzhenw1.msu.edu
(Tue Jan 12 2010 - 07:45:21 PST)
[AMBER] hbond analysis output
qiaoyan
(Sun Jan 10 2010 - 18:51:57 PST)
Re: [AMBER] hbond analysis output
Thomas Cheatham III
(Mon Jan 11 2010 - 11:49:43 PST)
Re: [AMBER] hbond analysis output
Marcin Krol
(Mon Jan 11 2010 - 13:10:26 PST)
[AMBER] in minimization
bharat lakhani
(Mon Jan 11 2010 - 01:19:57 PST)
Re: [AMBER] in minimization
case
(Mon Jan 11 2010 - 05:28:21 PST)
[AMBER] error in minimization
mani grover
(Mon Jan 11 2010 - 01:41:39 PST)
Re: [AMBER] error in minimization
steinbrt.rci.rutgers.edu
(Mon Jan 11 2010 - 04:44:34 PST)
Re: [AMBER] error in minimization
case
(Mon Jan 11 2010 - 05:30:43 PST)
[AMBER] Making Ambiguous Distance Restraints
Titus, Jamie (bairdje)
(Mon Jan 11 2010 - 06:53:20 PST)
Re: [AMBER] Making Ambiguous Distance Restraints
case
(Mon Jan 11 2010 - 07:51:30 PST)
RE: [AMBER] Making Ambiguous Distance Restraints
Titus, Jamie (bairdje)
(Mon Jan 11 2010 - 08:31:35 PST)
Re: : [AMBER] Error
Bill Ross
(Mon Jan 11 2010 - 09:12:19 PST)
[AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
Mag. Thomas Taylor
(Tue Jan 12 2010 - 02:05:28 PST)
Re: [AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
Mark Williamson
(Tue Jan 12 2010 - 17:35:54 PST)
Re: [AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
Mag. Thomas Taylor
(Thu Jan 21 2010 - 00:30:25 PST)
[AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
Alan
(Tue Jan 12 2010 - 05:56:23 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
case
(Tue Jan 12 2010 - 06:29:59 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
Alan
(Tue Jan 12 2010 - 10:02:17 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
case
(Wed Jan 13 2010 - 05:36:11 PST)
[AMBER] Install problem
Stefan weber
(Tue Jan 12 2010 - 06:13:59 PST)
Re: [AMBER] Install problem
Daniel Roe
(Tue Jan 12 2010 - 06:32:32 PST)
Re: [AMBER] Install problem
Stefan weber
(Tue Jan 12 2010 - 06:47:37 PST)
Re: [AMBER] Install problem
Jason Swails
(Tue Jan 12 2010 - 07:06:08 PST)
Re: [AMBER] Install problem
case
(Tue Jan 12 2010 - 07:08:24 PST)
Re: [AMBER] Install problem
John E. Kerrigan
(Thu Jan 14 2010 - 11:06:27 PST)
Re: [AMBER] Install problem
case
(Thu Jan 14 2010 - 16:50:15 PST)
Re: [AMBER] Install problem
Daniel Roe
(Tue Jan 12 2010 - 07:17:55 PST)
Re: [AMBER] Install problem -- solved
Stefan weber
(Tue Jan 12 2010 - 22:53:17 PST)
[AMBER] TSvib terms
Giovanni Grazioso
(Tue Jan 12 2010 - 07:05:19 PST)
[AMBER] PTRAJ clustering atom /hetatm problem
Andrew Voronkov
(Tue Jan 12 2010 - 08:50:40 PST)
Re: [AMBER] PTRAJ clustering atom /hetatm problem
Dmitry Mukha
(Tue Jan 12 2010 - 09:44:19 PST)
Re: Re: [AMBER] PTRAJ clustering atom /hetatm problem
Andrew Voronkov
(Thu Jan 14 2010 - 01:13:20 PST)
Re: [AMBER] Install problem
Bill Ross
(Tue Jan 12 2010 - 09:58:16 PST)
Re: [AMBER] Install problem
Bill Ross
(Tue Jan 12 2010 - 10:21:13 PST)
[AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Cihan Aydin
(Tue Jan 12 2010 - 10:01:03 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Jason Swails
(Tue Jan 12 2010 - 10:08:10 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Cihan Aydin
(Tue Jan 12 2010 - 10:13:36 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Jason Swails
(Tue Jan 12 2010 - 10:16:28 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Cihan Aydin
(Tue Jan 12 2010 - 10:30:12 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
Cihan Aydin
(Tue Jan 12 2010 - 10:36:08 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
case
(Tue Jan 12 2010 - 15:02:47 PST)
[AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Samuel Genheden
(Wed Jan 13 2010 - 02:02:28 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
steinbrt.rci.rutgers.edu
(Wed Jan 13 2010 - 02:36:07 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Samuel Genheden
(Wed Jan 13 2010 - 02:46:05 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
steinbrt.rci.rutgers.edu
(Wed Jan 13 2010 - 03:21:11 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Samuel Genheden
(Wed Jan 13 2010 - 04:06:59 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
steinbrt.rci.rutgers.edu
(Wed Jan 13 2010 - 04:37:38 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Samuel Genheden
(Wed Jan 13 2010 - 04:58:40 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
steinbrt.rci.rutgers.edu
(Wed Jan 13 2010 - 05:05:35 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Hannes Kopitz
(Wed Jan 13 2010 - 03:48:36 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
Samuel Genheden
(Wed Jan 13 2010 - 04:03:41 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
case
(Wed Jan 13 2010 - 04:56:10 PST)
[AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Wed Jan 13 2010 - 02:10:36 PST)
RE: [AMBER] How to avoid Zn parametrization?
Ross Walker
(Wed Jan 13 2010 - 09:47:02 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Thu Jan 14 2010 - 05:17:40 PST)
RE: RE: [AMBER] How to avoid Zn parametrization?
Ross Walker
(Thu Jan 14 2010 - 11:54:50 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Mon Jan 18 2010 - 01:32:05 PST)
RE: [AMBER] How to avoid Zn parametrization?
FyD
(Mon Jan 18 2010 - 03:41:20 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
Bill Ross
(Thu Jan 14 2010 - 09:32:57 PST)
Re: Re: RE: [AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Thu Jan 14 2010 - 12:59:53 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Mon Jan 18 2010 - 04:25:49 PST)
RE: [AMBER] How to avoid Zn parametrization?
Bill Ross
(Wed Jan 13 2010 - 10:20:19 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
Andrew Voronkov
(Thu Jan 14 2010 - 01:08:48 PST)
RE: RE: [AMBER] How to avoid Zn parametrization?
Ross Walker
(Thu Jan 14 2010 - 11:57:20 PST)
[AMBER] TEST_FAILURES.diff
zoran matovic
(Wed Jan 13 2010 - 07:56:48 PST)
RE: [AMBER] TEST_FAILURES.diff
Ross Walker
(Wed Jan 13 2010 - 09:38:20 PST)
Re: [AMBER] TEST_FAILURES.diff
zoran matovic
(Thu Jan 14 2010 - 05:42:10 PST)
[AMBER] how to work with backbone atoms only ?
Brut Marie
(Wed Jan 13 2010 - 12:28:58 PST)
[AMBER] making pdb file
sare Sorur
(Wed Jan 13 2010 - 12:40:46 PST)
Re: [AMBER] making pdb file
Carlos Simmerling
(Wed Jan 13 2010 - 12:46:49 PST)
Re: [AMBER] making pdb file
Kevin Hauser
(Wed Jan 13 2010 - 18:49:28 PST)
[AMBER] error in extract_centroids.awk
Mannan
(Wed Jan 13 2010 - 19:07:07 PST)
RE: [AMBER] error in extract_centroids.awk
Ross Walker
(Thu Jan 14 2010 - 12:03:31 PST)
[AMBER] No restart file written every ntwr steps?
Cihan Aydin
(Wed Jan 13 2010 - 12:50:25 PST)
RE: [AMBER] No restart file written every ntwr steps?
Ross Walker
(Wed Jan 13 2010 - 13:34:02 PST)
RE: [AMBER] No restart file written every ntwr steps?
Cihan Aydin
(Wed Jan 13 2010 - 13:48:46 PST)
Re: [AMBER] No restart file written every ntwr steps?
case
(Wed Jan 13 2010 - 18:38:26 PST)
[AMBER] PTRAJ problem
luzhenw1.msu.edu
(Wed Jan 13 2010 - 14:15:26 PST)
Re: [AMBER] ATP/GTP parameters
E.M.
(Wed Jan 13 2010 - 17:31:22 PST)
Re: [AMBER] ATP/GTP parameters
FyD
(Thu Jan 14 2010 - 07:23:27 PST)
[AMBER] Distance analysis
Shaikh Abdul R S Ramaju
(Wed Jan 13 2010 - 20:33:05 PST)
Re: [AMBER] Distance analysis
E.M.
(Wed Jan 13 2010 - 20:41:13 PST)
FW: [AMBER] Distance analysis
Shaikh Abdul R S Ramaju
(Wed Jan 13 2010 - 23:08:01 PST)
Re: FW: [AMBER] Distance analysis
Jason Swails
(Thu Jan 14 2010 - 05:34:47 PST)
[AMBER] sqm failed to fail
Alan
(Thu Jan 14 2010 - 04:12:54 PST)
Re: [AMBER] sqm failed to fail
case
(Thu Jan 14 2010 - 06:11:39 PST)
Re: [AMBER] sqm failed to fail
Alan
(Thu Jan 14 2010 - 07:30:42 PST)
Re: [AMBER] sqm failed to fail
case
(Thu Jan 14 2010 - 08:43:42 PST)
[AMBER] rms fit to a incomplete file
qiaoyan
(Thu Jan 14 2010 - 04:29:50 PST)
Re: [AMBER] rms fit to a incomplete file
Carlos Simmerling
(Thu Jan 14 2010 - 04:33:22 PST)
Re: Re: [AMBER] rms fit to a incomplete file
qiaoyan
(Thu Jan 14 2010 - 04:57:44 PST)
Re: Re: [AMBER] rms fit to a incomplete file
Carlos Simmerling
(Thu Jan 14 2010 - 05:00:47 PST)
Re: [AMBER] pupil and amber
Ben Roberts
(Thu Jan 14 2010 - 07:19:06 PST)
[AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
xueqin pang
(Thu Jan 14 2010 - 07:58:44 PST)
Re: [AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
Jason Swails
(Thu Jan 14 2010 - 08:13:29 PST)
Re: [AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
case
(Thu Jan 14 2010 - 08:47:38 PST)
[AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
Sushil Mishra
(Thu Jan 14 2010 - 08:42:32 PST)
Re: [AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
steinbrt.rci.rutgers.edu
(Thu Jan 14 2010 - 09:40:17 PST)
Re: [AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
Sushil Mishra
(Fri Jan 15 2010 - 01:19:31 PST)
[AMBER] Add external E-field in Amber
Keith Chin
(Thu Jan 14 2010 - 09:55:18 PST)
[AMBER] how to combine MD trajectories with two different time steps
Jayalakshmi Sridhar
(Thu Jan 14 2010 - 09:59:15 PST)
Re: [AMBER] how to combine MD trajectories with two different time steps
Carlos Simmerling
(Thu Jan 14 2010 - 10:16:14 PST)
Re: [AMBER] how to combine MD trajectories with two different time steps
Jayalakshmi Sridhar
(Thu Jan 14 2010 - 10:19:44 PST)
[AMBER] add external electric field sim in Amber
Keith Chin
(Thu Jan 14 2010 - 10:54:27 PST)
[AMBER] atom expression in NAB -superimpose
Lixia Jin Day
(Thu Jan 14 2010 - 13:15:00 PST)
Re: [AMBER] atom expression in NAB -superimpose
case
(Thu Jan 14 2010 - 20:15:00 PST)
[AMBER] problem with MMPBSA.py
xueqin pang
(Thu Jan 14 2010 - 19:50:21 PST)
RE: [AMBER] problem with MMPBSA.py
xueqin pang
(Thu Jan 14 2010 - 23:32:18 PST)
Re: [AMBER] problem with MMPBSA.py
Jason Swails
(Thu Jan 14 2010 - 23:50:21 PST)
Re: [AMBER] problem with MMPBSA.py
xueqin pang
(Fri Jan 15 2010 - 00:19:13 PST)
Re: [AMBER] problem with MMPBSA.py
Jason Swails
(Fri Jan 15 2010 - 00:42:16 PST)
Re: [AMBER] problem with MMPBSA.py
xueqin pang
(Fri Jan 15 2010 - 00:58:59 PST)
Re: [AMBER] problem with MMPBSA.py
xueqin pang
(Fri Jan 15 2010 - 22:44:59 PST)
Re: [AMBER] problem with MMPBSA.py
Mengjuei Hsieh
(Fri Jan 15 2010 - 23:15:40 PST)
Re: [AMBER] problem with MMPBSA.py
xueqin pang
(Mon Jan 18 2010 - 05:13:43 PST)
[AMBER] error while installation of amber9 at fedora 12
saurabh agrawal
(Fri Jan 15 2010 - 06:50:27 PST)
Re: [AMBER] error while installation of amber9 at fedora 12
case
(Fri Jan 15 2010 - 07:07:13 PST)
Re: [AMBER] error while installation of amber9 at fedora 12
saurabh agrawal
(Fri Jan 15 2010 - 10:08:51 PST)
[AMBER] DECOMP in mm_pbsa.in file
ERIK.LAURINI.phd.units.it
(Fri Jan 15 2010 - 07:10:08 PST)
[AMBER] question on exact ionic strength format and some questions on other GB calculations parameters
Andrew Voronkov
(Fri Jan 15 2010 - 07:21:05 PST)
Re: [AMBER] question on exact ionic strength format and some questions on other GB calculations parameters
case
(Fri Jan 15 2010 - 09:00:01 PST)
[AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
Sushil Mishra
(Fri Jan 15 2010 - 09:01:19 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
steinbrt.rci.rutgers.edu
(Fri Jan 15 2010 - 09:27:08 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
Sushil Mishra
(Fri Jan 15 2010 - 10:01:13 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
Sushil Mishra
(Fri Jan 15 2010 - 10:08:26 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
steinbrt.rci.rutgers.edu
(Fri Jan 15 2010 - 10:17:22 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
Sushil Mishra
(Fri Jan 15 2010 - 10:58:31 PST)
Re: [AMBER] Is the integral value from RDF the same as average number of atoms?
fatima chami
(Sat Jan 16 2010 - 03:38:36 PST)
[AMBER] error regarding NMR restrains
mani grover
(Sat Jan 16 2010 - 10:55:46 PST)
Re: [AMBER] error regarding NMR restrains
case
(Sat Jan 16 2010 - 12:28:15 PST)
Re: [AMBER] error regarding NMR restrains
mani grover
(Sat Jan 16 2010 - 13:17:42 PST)
Re: [AMBER] error regarding NMR restrains
case
(Sat Jan 16 2010 - 14:24:26 PST)
[AMBER] Lennard-Jones Parameters in prmtop
Jianhui Tian
(Sun Jan 17 2010 - 09:07:42 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Jason Swails
(Sun Jan 17 2010 - 11:14:23 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Jianhui Tian
(Sun Jan 17 2010 - 12:08:18 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Dean Cuebas
(Sun Jan 17 2010 - 15:27:41 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Jianhui Tian
(Sun Jan 17 2010 - 17:53:14 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
case
(Sun Jan 17 2010 - 19:18:25 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
fatima chami
(Sat Jan 23 2010 - 16:27:41 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Dean Cuebas
(Sun Jan 24 2010 - 11:04:52 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
InSuk Joung
(Sun Jan 24 2010 - 12:17:44 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Jianhui Tian
(Tue Jan 26 2010 - 12:02:47 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Bill Ross
(Mon Jan 18 2010 - 11:18:46 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Jianhui Tian
(Mon Jan 18 2010 - 11:41:46 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
Bill Ross
(Mon Jan 18 2010 - 11:57:50 PST)
[AMBER] problem with DC of mmgbsa
xueqin pang
(Sun Jan 17 2010 - 18:23:45 PST)
Re: [AMBER] problem with DC of mmgbsa
Hannes Kopitz
(Mon Jan 18 2010 - 12:24:21 PST)
Re: [AMBER] problem with DC of mmgbsa
xueqin pang
(Tue Jan 19 2010 - 06:07:39 PST)
Re: [AMBER] problem with DC of mmgbsa
xueqin pang
(Tue Jan 19 2010 - 23:13:49 PST)
Re: [AMBER] problem with DC of mmgbsa
Hannes Kopitz
(Fri Jan 22 2010 - 07:58:08 PST)
[AMBER] Parameters for sulfate in amber
Mannan
(Tue Jan 19 2010 - 18:50:17 PST)
Re: [AMBER] Parameters for sulfate in amber
FyD
(Thu Jan 21 2010 - 05:22:17 PST)
[AMBER] plz help
YOGESH NARKHEDE
(Sun Jan 17 2010 - 20:20:15 PST)
[AMBER] Energy function NAB
chaitanya koppisetty
(Mon Jan 18 2010 - 02:19:01 PST)
Re: [AMBER] Energy function NAB
case
(Mon Jan 18 2010 - 06:44:33 PST)
[AMBER] The RESP program
FyD
(Mon Jan 18 2010 - 03:13:51 PST)
Re: [AMBER] The RESP program
Alan
(Mon Jan 18 2010 - 06:17:18 PST)
Re: [AMBER] The RESP program
FyD
(Mon Jan 18 2010 - 07:10:51 PST)
[AMBER] Installation problem
gunajyoti das
(Mon Jan 18 2010 - 05:38:29 PST)
Re: [AMBER] Installation problem
David Watson
(Mon Jan 18 2010 - 06:10:33 PST)
Re: [AMBER] Installation problem
Sudeep Narayan Banerjee
(Mon Jan 18 2010 - 19:51:49 PST)
Re: [AMBER] Installation problem
case
(Mon Jan 18 2010 - 06:46:25 PST)
[AMBER] amber11
Steve Seibold
(Mon Jan 18 2010 - 05:43:52 PST)
[AMBER] Query About QMMM Energy Minimization
gunajyoti das
(Mon Jan 18 2010 - 06:13:08 PST)
Re: [AMBER] Query About QMMM Energy Minimization
Jason Swails
(Mon Jan 18 2010 - 08:27:25 PST)
RE: [AMBER] Query About QMMM Energy Minimization
Ross Walker
(Mon Jan 18 2010 - 21:47:19 PST)
[AMBER] Parameters for a new ligand
Christine Baranski
(Mon Jan 18 2010 - 09:47:14 PST)
Re: [AMBER] Parameters for a new ligand
Jason Swails
(Mon Jan 18 2010 - 09:52:12 PST)
Re: [AMBER] Parameters for a new ligand
FyD
(Tue Jan 19 2010 - 00:07:29 PST)
[AMBER] Center of Mass Harmonic Potentials
Keith Battle
(Mon Jan 18 2010 - 16:56:34 PST)
Re: [AMBER] Center of Mass Harmonic Potentials
Carlos Simmerling
(Mon Jan 18 2010 - 17:35:29 PST)
[AMBER] AmberTools-1.3 Install Problem
Hopkins, Robert
(Mon Jan 18 2010 - 17:10:07 PST)
Re: [AMBER] AmberTools-1.3 Install Problem
case
(Mon Jan 18 2010 - 17:51:34 PST)
Re: Re: [AMBER] AmberTools-1.3 Install Problem
Hopkins, Robert
(Mon Jan 25 2010 - 12:37:32 PST)
[AMBER] Slab
babak minoofar
(Tue Jan 19 2010 - 04:08:58 PST)
Re: [AMBER] Slab
case
(Tue Jan 19 2010 - 05:57:13 PST)
[AMBER] Error in parallel compiling of Amber
nicee.srivastava.imtech.res.in
(Tue Jan 19 2010 - 04:17:04 PST)
Re: [AMBER] Error in parallel compiling of Amber
Mark Williamson
(Tue Jan 19 2010 - 11:40:05 PST)
Re: [AMBER] Error in parallel compiling of Amber
nicee.srivastava.imtech.res.in
(Wed Jan 20 2010 - 03:48:19 PST)
RE: [AMBER] Error in parallel compiling of Amber
Ross Walker
(Tue Jan 19 2010 - 11:39:35 PST)
RE: [AMBER] Error in parallel compiling of Amber
nicee.srivastava.imtech.res.in
(Tue Jan 19 2010 - 20:31:58 PST)
Re: [AMBER] Error in parallel compiling of Amber
case
(Tue Jan 19 2010 - 21:06:18 PST)
[AMBER] MD integrator in AMBER
Neha Bharat Gajaria
(Tue Jan 19 2010 - 06:36:35 PST)
RE: [AMBER] MD integrator in AMBER
Ross Walker
(Tue Jan 19 2010 - 11:42:18 PST)
[AMBER] phosphorylated amino acids
Christine Baranski
(Tue Jan 19 2010 - 07:31:41 PST)
Re: [AMBER] phosphorylated amino acids
Carlos Simmerling
(Tue Jan 19 2010 - 07:33:24 PST)
Re: [AMBER] phosphorylated amino acids
Jason Swails
(Tue Jan 19 2010 - 07:35:40 PST)
[AMBER] Computing Hessian in Internal Coordinates?
Kevin Wiehe
(Tue Jan 19 2010 - 09:49:14 PST)
Re: [AMBER] Computing Hessian in Internal Coordinates?
case
(Tue Jan 19 2010 - 11:30:59 PST)
[AMBER] (no subject)
sangita.imtech.res.in
(Wed Jan 20 2010 - 01:07:50 PST)
Re: [AMBER] (no subject)
case
(Wed Jan 20 2010 - 05:11:39 PST)
Re: [AMBER] (no subject)
Sangita Kachhap
(Wed Jan 20 2010 - 23:41:43 PST)
[AMBER] error of cutoff list exceeds largest sphere in unit cell
sangita.imtech.res.in
(Wed Jan 20 2010 - 01:11:39 PST)
[AMBER] segmentation fault
mani grover
(Wed Jan 20 2010 - 06:23:49 PST)
Re: [AMBER] segmentation fault
case
(Wed Jan 20 2010 - 09:04:29 PST)
[AMBER] Error reading namelist cntrl
MASLYK, MACIEJ MARCIN
(Wed Jan 20 2010 - 08:34:59 PST)
Re: [AMBER] Error reading namelist cntrl
Carlos Simmerling
(Wed Jan 20 2010 - 08:38:34 PST)
Re: [AMBER] Error reading namelist cntrl
case
(Wed Jan 20 2010 - 09:01:42 PST)
[AMBER] Cannot read parm file tprmtop
Lixia Jin Day
(Wed Jan 20 2010 - 09:09:01 PST)
Re: [AMBER] Cannot read parm file tprmtop
case
(Wed Jan 20 2010 - 09:27:45 PST)
Re: [AMBER] Cannot read parm file tprmtop
Lixia Jin Day
(Wed Jan 20 2010 - 09:42:07 PST)
Re: [AMBER] Cannot read parm file tprmtop
case
(Wed Jan 20 2010 - 10:00:06 PST)
Re: [AMBER] Cannot read parm file tprmtop
Lixia Jin Day
(Wed Jan 20 2010 - 10:30:46 PST)
Re: [AMBER] segmentation fault
Bill Ross
(Wed Jan 20 2010 - 09:54:59 PST)
[AMBER] Residue DA not in library dna.amber94.rlb.
Lixia Jin Day
(Wed Jan 20 2010 - 14:39:26 PST)
Re: [AMBER] Residue DA not in library dna.amber94.rlb.
case
(Sat Jan 23 2010 - 14:15:13 PST)
[AMBER] Re: Can't post in Amber reflector forum-help
Keith Chin
(Wed Jan 20 2010 - 15:01:16 PST)
[AMBER] Fwd: Can't post in Amber reflector forum-help
Keith Chin
(Wed Jan 20 2010 - 15:04:55 PST)
[AMBER] ligands mutagenesis approach in MM_PBSA
Qinghua Liao
(Wed Jan 20 2010 - 16:36:57 PST)
[AMBER] need help in MM_PBSA calculation
geyan
(Thu Jan 21 2010 - 01:20:06 PST)
回复： [AMBER] need help in MM_PBSA calculation
xueqin pang
(Thu Jan 21 2010 - 04:32:34 PST)
Re: [AMBER] need help in MM_PBSA calculation
Ray Luo
(Thu Jan 21 2010 - 10:35:59 PST)
Re: Re: [AMBER] need help in MM_PBSA calculation
geyan
(Tue Jan 26 2010 - 18:55:25 PST)
Re: [AMBER] need help in MM_PBSA calculation
Ray Luo
(Wed Jan 27 2010 - 11:05:38 PST)
[AMBER] PMEMD10 - energy summation bug?
Mag. Thomas Taylor
(Thu Jan 21 2010 - 04:32:19 PST)
[AMBER] Re: PMEMD10 - energy summation bug? NO
Mag. Thomas Taylor
(Thu Jan 21 2010 - 04:47:23 PST)
RE: [Subject Filtered] Re: [AMBER] AmberTools-1.3 Install Problem 10%
Hopkins, Robert
(Thu Jan 21 2010 - 13:34:13 PST)
RE: [Subject Filtered] Re: [AMBER] AmberTools-1.3 Install Problem 10%
Bill Ross
(Thu Jan 21 2010 - 17:38:00 PST)
[AMBER] (no subject)
gunajyoti das
(Fri Jan 22 2010 - 01:22:13 PST)
[AMBER] test.MMPBSA_Nmode
Antonija Tomić
(Fri Jan 22 2010 - 03:01:21 PST)
Re: [AMBER] test.MMPBSA_Nmode
Ray Luo, Ph.D.
(Fri Jan 22 2010 - 06:51:41 PST)
Re: [AMBER] test.MMPBSA_Nmode
Antonija Tomić
(Mon Jan 25 2010 - 01:58:17 PST)
Re: [AMBER] test.MMPBSA_Nmode
Ray Luo
(Mon Jan 25 2010 - 10:50:44 PST)
Re: [AMBER] test.MMPBSA_Nmode
Antonija Tomić
(Tue Jan 26 2010 - 01:17:41 PST)
[AMBER] Amber10 Installation
sikander azam
(Fri Jan 22 2010 - 03:51:46 PST)
Re: [AMBER] Amber10 Installation
David Watson
(Fri Jan 22 2010 - 06:43:39 PST)
Re: [AMBER] Amber10 Installation
sikander azam
(Sat Jan 23 2010 - 04:23:05 PST)
Re: [AMBER] Amber10 Installation
David Watson
(Sat Jan 23 2010 - 06:48:07 PST)
Re: [AMBER] Amber10 Installation
sikander azam
(Mon Jan 25 2010 - 06:08:54 PST)
Re: [AMBER] Amber10 Installation
case
(Mon Jan 25 2010 - 07:04:41 PST)
[AMBER] how to calculate the different compoents of their interaction energies
qiaoyan
(Fri Jan 22 2010 - 04:54:24 PST)
Re: [AMBER] how to calculate the different compoents of their interaction energies
Jason Swails
(Fri Jan 22 2010 - 07:13:41 PST)
[AMBER] AMBER on AMD Istanbul versus intel Nehalem with infiniband
Vlad Cojocaru
(Fri Jan 22 2010 - 06:45:28 PST)
[AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 08:55:47 PST)
Re: [AMBER] heat further an equilibrated system
Jason Swails
(Fri Jan 22 2010 - 08:58:47 PST)
Re: [AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 09:40:28 PST)
Re: [AMBER] heat further an equilibrated system
Jason Swails
(Fri Jan 22 2010 - 09:52:02 PST)
Re: [AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 09:57:30 PST)
Re: [AMBER] heat further an equilibrated system
Jason Swails
(Fri Jan 22 2010 - 10:11:39 PST)
Re: [AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 10:17:14 PST)
Re: [AMBER] heat further an equilibrated system
Jason Swails
(Fri Jan 22 2010 - 10:28:25 PST)
Re: [AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 10:38:48 PST)
Re: [AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 09:53:01 PST)
[AMBER] heat further an equilibrated system
Jayalakshmi Sridhar
(Fri Jan 22 2010 - 09:04:19 PST)
[AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
Lan Hua
(Fri Jan 22 2010 - 09:22:33 PST)
Re: [AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
FyD
(Fri Jan 22 2010 - 12:10:31 PST)
Re: [AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
Lan Hua
(Fri Jan 22 2010 - 12:38:51 PST)
[AMBER] AMBER10 installation failure: NETCDF configure failed
Siddharth Rastogi
(Fri Jan 22 2010 - 15:27:30 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
David Watson
(Fri Jan 22 2010 - 16:00:52 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
case
(Sat Jan 23 2010 - 12:06:47 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
Siddharth Rastogi
(Sun Jan 31 2010 - 15:05:21 PST)
[AMBER] Trouble visualizing with VMD
Jagdeesh C
(Fri Jan 22 2010 - 18:10:50 PST)
Re: [AMBER] Trouble visualizing with VMD
Nicholas Musolino
(Fri Jan 22 2010 - 18:36:07 PST)
Re: [AMBER] Trouble visualizing with VMD
Jagdeesh C
(Fri Jan 22 2010 - 18:57:44 PST)
Re: [AMBER] Trouble visualizing with VMD
Jason Swails
(Fri Jan 22 2010 - 22:18:14 PST)
[AMBER] problem with vmd
mahesh kumar
(Sat Jan 23 2010 - 01:18:32 PST)
Re: [AMBER] problem with vmd
Jason Swails
(Sat Jan 23 2010 - 05:42:57 PST)
RE: [AMBER] problem with vmd
Ross Walker
(Sun Jan 24 2010 - 22:26:57 PST)
[AMBER] trouble with cooling down the system
song_jianing_hi
(Sat Jan 23 2010 - 02:04:01 PST)
RE: [AMBER] trouble with cooling down the system
Ross Walker
(Sun Jan 24 2010 - 22:26:57 PST)
[AMBER] Thanks , Ross!
song_jianing_hi
(Mon Jan 25 2010 - 22:16:16 PST)
[AMBER] trouble with MD simulation
song_jianing_hi
(Sat Jan 23 2010 - 02:15:06 PST)
[AMBER] query regarding neutralisation of protein before minimisation
nicee.srivastava.imtech.res.in
(Sat Jan 23 2010 - 03:01:22 PST)
RE: [AMBER] query regarding neutralisation of protein before minimisation
Ross Walker
(Sun Jan 24 2010 - 22:26:57 PST)
[AMBER] can nmode run in parallel from
xueqin pang
(Sat Jan 23 2010 - 04:21:15 PST)
Re: [AMBER] can nmode run in parallel from
case
(Sat Jan 23 2010 - 11:46:25 PST)
[AMBER] can nmode restart
xueqin pang
(Sat Jan 23 2010 - 05:02:51 PST)
[AMBER] explanation of the pucker output
qiaoyan
(Sat Jan 23 2010 - 05:31:58 PST)
[AMBER] error in installing amber tools
nicee.srivastava.imtech.res.in
(Sun Jan 24 2010 - 22:15:52 PST)
Re: [AMBER] error in installing amber tools
liangchen88.ucla.edu
(Mon Jan 25 2010 - 01:48:57 PST)
Re: [AMBER] error in installing amber tools
Nicee
(Mon Jan 25 2010 - 02:09:24 PST)
[AMBER] error in installing amber10 even after installing amber tools
Nicee
(Mon Jan 25 2010 - 02:45:29 PST)
Re: [AMBER] error in installing amber10 even after installing amber tools
case
(Mon Jan 25 2010 - 07:02:34 PST)
[AMBER] Is this Amber10 install error important?
Hopkins, Robert
(Mon Jan 25 2010 - 07:22:48 PST)
Re: [AMBER] Is this Amber10 install error important?
Jason Swails
(Mon Jan 25 2010 - 08:22:31 PST)
[AMBER] URE residue not recognized in xleap
Antonios Samiotakis
(Mon Jan 25 2010 - 09:06:08 PST)
Re: [AMBER] URE residue not recognized in xleap
Jason Swails
(Mon Jan 25 2010 - 09:16:23 PST)
Re: [AMBER] URE residue not recognized in xleap
Antonios Samiotakis
(Mon Jan 25 2010 - 09:41:51 PST)
Re: [AMBER] URE residue not recognized in xleap
Jason Swails
(Mon Jan 25 2010 - 11:16:41 PST)
Re: [AMBER] URE residue not recognized in xleap
Antonios Samiotakis
(Mon Jan 25 2010 - 12:11:33 PST)
Re: [AMBER] URE residue not recognized in xleap
Jason Swails
(Mon Jan 25 2010 - 13:40:28 PST)
Re: [AMBER] URE residue not recognized in xleap
Antonios Samiotakis
(Mon Jan 25 2010 - 15:14:31 PST)
[AMBER-Developers] Mailing list TEST MESSAGE - Please ignore.
Ross Walker
(Mon Jan 25 2010 - 15:09:37 PST)
[AMBER] Aborted tests for AmberTools-1.3
Hopkins, Robert
(Mon Jan 25 2010 - 16:03:26 PST)
[AMBER] TEST_FAILURES
sikander azam
(Mon Jan 25 2010 - 20:49:24 PST)
Re: [AMBER] TEST_FAILURES
David Watson
(Mon Jan 25 2010 - 21:02:02 PST)
Re: [AMBER] TEST_FAILURES
David Watson
(Mon Jan 25 2010 - 21:11:25 PST)
Re: [AMBER] TEST_FAILURES
sikander azam
(Wed Jan 27 2010 - 06:47:38 PST)
Re: [AMBER] TEST_FAILURES
case
(Wed Jan 27 2010 - 07:04:59 PST)
Re: [AMBER] TEST_FAILURES
sikander azam
(Thu Jan 28 2010 - 05:18:27 PST)
Re: [AMBER] TEST_FAILURES
case
(Thu Jan 28 2010 - 05:34:36 PST)
[AMBER] problem with nmode
xueqin pang
(Mon Jan 25 2010 - 23:20:45 PST)
Re: [AMBER] problem with nmode
Hannes Kopitz
(Mon Jan 25 2010 - 23:48:02 PST)
[AMBER] problem with MMPBSA.py nmode calculation
xueqin pang
(Tue Jan 26 2010 - 00:29:33 PST)
[AMBER] PLUMED tutorial announcement
Massimiliano Bonomi
(Tue Jan 26 2010 - 00:39:54 PST)
[AMBER] need help in MM_PBSA calculation
geyan
(Tue Jan 26 2010 - 00:42:59 PST)
Re: [AMBER] need help in MM_PBSA calculation
Ray Luo
(Tue Jan 26 2010 - 11:00:23 PST)
[AMBER] Installing AMBER 10 on OSX Snow Leopard
George Tzotzos
(Tue Jan 26 2010 - 02:01:07 PST)
Re: [AMBER] Installing AMBER 10 on OSX Snow Leopard
case
(Tue Jan 26 2010 - 04:43:45 PST)
[AMBER] changing intrinsic GB radii
Peter Winn
(Tue Jan 26 2010 - 07:13:19 PST)
Re: [AMBER] changing intrinsic GB radii
Carlos Simmerling
(Tue Jan 26 2010 - 07:17:06 PST)
[AMBER] Bridged HBONDS
Marcin Krol
(Tue Jan 26 2010 - 07:42:51 PST)
Re: [AMBER] problem with nmode
Bill Ross
(Tue Jan 26 2010 - 10:15:31 PST)
[AMBER] Ammonia solvation box
Giovanni Bellesia
(Tue Jan 26 2010 - 11:25:42 PST)
[AMBER] stdinput - getline
Lixia Jin Day
(Tue Jan 26 2010 - 12:25:56 PST)
[AMBER] fscanf
Lixia Jin Day
(Tue Jan 26 2010 - 13:34:37 PST)
Re: [AMBER] fscanf
Daniel Roe
(Tue Jan 26 2010 - 14:12:13 PST)
Re: [AMBER] fscanf
Lixia Jin Day
(Tue Jan 26 2010 - 16:05:27 PST)
[AMBER] fscanf
Chris Moth
(Tue Jan 26 2010 - 19:48:38 PST)
Re: [AMBER] fscanf
Bill Ross
(Tue Jan 26 2010 - 16:10:08 PST)
Re: [AMBER] fscanf
case
(Wed Jan 27 2010 - 07:10:22 PST)
[AMBER] TI with soft core potentials
Wood Geoffrey
(Tue Jan 26 2010 - 20:18:22 PST)
Re: [AMBER] TI with soft core potentials
steinbrt.rci.rutgers.edu
(Wed Jan 27 2010 - 00:49:33 PST)
[AMBER] workshop
Nicolas.Baurin.sanofi-aventis.com
(Wed Jan 27 2010 - 01:32:25 PST)
Re: [AMBER] workshop
steinbrt.rci.rutgers.edu
(Wed Jan 27 2010 - 02:04:30 PST)
Re: [AMBER] workshop
Deepangi Pandit
(Wed Jan 27 2010 - 06:21:09 PST)
RE: [AMBER] workshop
Ross Walker
(Wed Jan 27 2010 - 13:40:13 PST)
Re: [AMBER] workshop
Christine Baranski
(Wed Jan 27 2010 - 16:01:06 PST)
RE: [AMBER] workshop
Ross Walker
(Wed Jan 27 2010 - 16:05:17 PST)
RE: [AMBER] workshop
Anna Reymer
(Wed Jan 27 2010 - 23:44:25 PST)
RE: [AMBER] workshop
steinbrt.rci.rutgers.edu
(Thu Jan 28 2010 - 07:50:25 PST)
RE: [AMBER] workshop
#ZHAO LINA#
(Wed Jan 27 2010 - 06:28:38 PST)
Re: [AMBER] TI with soft core potentials
Samuel Genheden
(Wed Jan 27 2010 - 06:03:35 PST)
Re: [AMBER] TI with soft core potentials
steinbrt.rci.rutgers.edu
(Wed Jan 27 2010 - 06:55:00 PST)
Re: [AMBER] TI with soft core potentials
Samuel Genheden
(Thu Jan 28 2010 - 03:09:17 PST)
Re: [AMBER] TI with soft core potentials
case
(Thu Jan 28 2010 - 05:10:06 PST)
Re: [AMBER] TI with soft core potentials
Samuel Genheden
(Thu Jan 28 2010 - 05:30:07 PST)
Re: [AMBER] TI with soft core potentials
steinbrt.rci.rutgers.edu
(Thu Jan 28 2010 - 07:55:40 PST)
[AMBER] ambmask - distance-dependend selection
Oliver Kuhn
(Wed Jan 27 2010 - 01:36:59 PST)
Re: [AMBER] ambmask - distance-dependend selection
Jason Swails
(Wed Jan 27 2010 - 05:43:27 PST)
[AMBER] Problems while working with Phosphothreonine
MUHAMMAD IMTIA SHAFIQ
(Wed Jan 27 2010 - 02:18:04 PST)
Re: [AMBER] Problems while working with Phosphothreonine
Soumya Lipsa Rath
(Wed Jan 27 2010 - 04:44:20 PST)
Re: [AMBER] Problems while working with Phosphothreonine
Anselm Horn
(Wed Jan 27 2010 - 05:01:57 PST)
Re: [AMBER] Problems while working with Phosphothreonine
imtiaz shafiq
(Wed Jan 27 2010 - 05:13:28 PST)
[AMBER] tleap N and C terminal
Antonija Tomić
(Wed Jan 27 2010 - 03:46:29 PST)
Re: [AMBER] tleap N and C terminal
Carlos Simmerling
(Wed Jan 27 2010 - 03:58:44 PST)
Re: [AMBER] tleap N and C terminal
Antonija Tomić
(Wed Jan 27 2010 - 04:52:13 PST)
[AMBER] Re: about xmin
Jason Swails
(Wed Jan 27 2010 - 05:36:35 PST)
[AMBER] AmberTools 1.3 and amber10
Mike Hanby
(Wed Jan 27 2010 - 09:45:38 PST)
Re: [AMBER] AmberTools 1.3 and amber10
case
(Wed Jan 27 2010 - 09:48:51 PST)
[AMBER] sscanf again
Lixia Jin Day
(Wed Jan 27 2010 - 10:22:10 PST)
Re: [AMBER] sscanf again
Chris Moth
(Wed Jan 27 2010 - 11:25:19 PST)
[AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
Tom Williams
(Wed Jan 27 2010 - 13:45:31 PST)
RE: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
Ross Walker
(Wed Jan 27 2010 - 14:27:24 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
Tom Williams
(Wed Jan 27 2010 - 15:11:02 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
Jason Swails
(Wed Jan 27 2010 - 15:31:42 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
Tom Williams
(Thu Jan 28 2010 - 16:41:40 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
case
(Fri Jan 29 2010 - 05:29:03 PST)
RE: [AMBER] antechamber error
Mike Hanby
(Wed Jan 27 2010 - 13:51:42 PST)
[AMBER] still sscanf
Lixia Jin Day
(Wed Jan 27 2010 - 14:53:38 PST)
[AMBER] Amber10 on Snow Leopard
Christine Baranski
(Wed Jan 27 2010 - 16:00:02 PST)
Re: [AMBER] Amber10 on Snow Leopard
Jason Swails
(Wed Jan 27 2010 - 16:57:01 PST)
Re: [AMBER] Amber10 on Snow Leopard
Mengjuei Hsieh
(Wed Jan 27 2010 - 17:11:20 PST)
Re: [AMBER] Amber10 on Snow Leopard
Christine Baranski
(Thu Jan 28 2010 - 01:13:55 PST)
Re: [AMBER] Amber10 on Snow Leopard
case
(Thu Jan 28 2010 - 05:14:48 PST)
Re: [AMBER] Amber10 on Snow Leopard
Scott Brozell
(Thu Jan 28 2010 - 14:48:37 PST)
[AMBER] Problem in running MMPBSA installation
Christine Baranski
(Wed Jan 27 2010 - 16:08:18 PST)
Re: [AMBER] Problem in running MMPBSA installation
Billy Miller III
(Wed Jan 27 2010 - 16:34:39 PST)
Re: [AMBER] Problem in running MMPBSA installation
Christine Baranski
(Wed Jan 27 2010 - 16:53:53 PST)
Re: [AMBER] Problem in running MMPBSA installation
Billy Miller III
(Wed Jan 27 2010 - 17:08:17 PST)
[AMBER] minimization question
Ed Pate
(Wed Jan 27 2010 - 21:14:54 PST)
Re: [AMBER] minimization question
Jason Swails
(Wed Jan 27 2010 - 21:57:20 PST)
[AMBER] compilation error of PMEMD
Sangita Kachhap
(Wed Jan 27 2010 - 09:11:09 PST)
Re: [AMBER] compilation error of PMEMD
Jason Swails
(Wed Jan 27 2010 - 23:52:06 PST)
[AMBER] PMEMD compilation error
Sangita Kachhap
(Wed Jan 27 2010 - 07:35:28 PST)
Re: [AMBER] PMEMD compilation error
case
(Thu Jan 28 2010 - 04:39:32 PST)
[AMBER] questions with nmode
xueqin pang
(Thu Jan 28 2010 - 02:19:06 PST)
Re: [AMBER] questions with nmode
case
(Thu Jan 28 2010 - 05:21:33 PST)
Re: [AMBER] questions with nmode
xueqin pang
(Thu Jan 28 2010 - 19:43:34 PST)
Re: [AMBER] questions with nmode
case
(Fri Jan 29 2010 - 09:07:50 PST)
[AMBER] Force Fields Parameters Files
Jana Sefcikova
(Fri Jan 29 2010 - 09:49:06 PST)
Re: [AMBER] Force Fields Parameters Files
Carlos Simmerling
(Fri Jan 29 2010 - 10:00:32 PST)
Re: [AMBER] Force Fields Parameters Files
FyD
(Sat Jan 30 2010 - 02:43:26 PST)
[AMBER] questions when doing nmode
xueqin pang
(Thu Jan 28 2010 - 03:22:29 PST)
[AMBER] Potential bug in TI softcore code of AMBER 11
Hugh Heldenbrand
(Thu Jan 28 2010 - 10:03:49 PST)
RE: [AMBER] Potential bug in TI softcore code of AMBER 11
Ross Walker
(Thu Jan 28 2010 - 11:51:36 PST)
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
steinbrt.rci.rutgers.edu
(Fri Jan 29 2010 - 01:13:50 PST)
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
case
(Fri Jan 29 2010 - 05:16:10 PST)
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
Hugh Heldenbrand
(Sat Jan 30 2010 - 07:21:42 PST)
[AMBER] mol file format of Gaussian and Amber
Jim Miller
(Thu Jan 28 2010 - 16:12:48 PST)
Re: [AMBER] mol file format of Gaussian and Amber
FyD
(Thu Jan 28 2010 - 19:43:56 PST)
Re: [AMBER] mol file format of Gaussian and Amber
Jim Miller
(Thu Jan 28 2010 - 22:18:50 PST)
[AMBER] Merz-Kollmann Radius for Iodine
Matthias Wildauer
(Fri Jan 29 2010 - 02:40:21 PST)
[AMBER] Serial Installation
John Wil
(Fri Jan 29 2010 - 04:53:11 PST)
Re: [AMBER] Serial Installation
case
(Fri Jan 29 2010 - 09:35:42 PST)
Re: [AMBER] Serial Installation
Sudeep Narayan Banerjee
(Fri Jan 29 2010 - 23:29:00 PST)
Re: [AMBER] Serial Installation
Sudeep Narayan Banerjee
(Fri Jan 29 2010 - 23:29:47 PST)
[AMBER] Parameters for unusual residues
Rilei Yu
(Fri Jan 29 2010 - 07:26:09 PST)
Re: [AMBER] Parameters for unusual residues
Lachele Foley (Lists)
(Fri Jan 29 2010 - 07:41:16 PST)
Re: [AMBER] Parameters for unusual residues
Carlos Simmerling
(Fri Jan 29 2010 - 07:48:44 PST)
[AMBER] problem while running amber in parallel (wall time ?)
imtiaz shafiq
(Fri Jan 29 2010 - 11:05:16 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
Jason Swails
(Fri Jan 29 2010 - 12:06:28 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
MUHAMMAD IMTIA SHAFIQ
(Fri Jan 29 2010 - 12:17:07 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
Jason Swails
(Fri Jan 29 2010 - 12:25:54 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
MUHAMMAD IMTIA SHAFIQ
(Fri Jan 29 2010 - 15:15:50 PST)
[AMBER] qm2_parameters.h
s. Bill
(Fri Jan 29 2010 - 17:25:13 PST)
Re: [AMBER] qm2_parameters.h
case
(Fri Jan 29 2010 - 19:03:29 PST)
[AMBER] AmberTools 1.3, Intel 11.0, on Ubuntu fails?
ben rodriguez
(Fri Jan 29 2010 - 20:19:11 PST)
Re: [AMBER] AmberTools 1.3, Intel 11.0, on Ubuntu fails?
Jason Swails
(Fri Jan 29 2010 - 20:24:30 PST)
[AMBER] disulfide bond error in the xleap
jacky zhao
(Fri Jan 29 2010 - 22:39:02 PST)
Re: [AMBER] disulfide bond error in the xleap
Jason Swails
(Fri Jan 29 2010 - 22:55:37 PST)
Re: [AMBER] disulfide bond error in the xleap
jacky zhao
(Fri Jan 29 2010 - 23:46:47 PST)
Re: [AMBER] disulfide bond error in the xleap
Jason Swails
(Fri Jan 29 2010 - 23:51:06 PST)
Re: [AMBER] disulfide bond error in the xleap
jacky zhao
(Sat Jan 30 2010 - 02:02:20 PST)
[AMBER] sander.MPI running only on one node in parallel mode ?
MUHAMMAD IMTIA SHAFIQ
(Sat Jan 30 2010 - 07:20:43 PST)
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
Jason Swails
(Sat Jan 30 2010 - 08:55:02 PST)
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
Ross Walker
(Sat Jan 30 2010 - 09:54:14 PST)
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
Mengjuei Hsieh
(Sat Jan 30 2010 - 12:10:38 PST)
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
MUHAMMAD IMTIA SHAFIQ
(Sat Jan 30 2010 - 15:07:04 PST)
[AMBER] mmpbsa error: No data for 0+2 MM BOND 200
xueqin pang
(Sun Jan 31 2010 - 03:56:48 PST)
[AMBER] Tutorial for Glycoprotein simulation
Siddharth Rastogi
(Sun Jan 31 2010 - 15:08:40 PST)
Last message date
:
Sun Jan 31 2010 - 15:30:03 PST
Archived on
: Fri Nov 15 2024 - 05:54:01 PST
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