Amber Archive Feb 2014 by thread
471 messages
:
Starting
Fri Jan 31 2014 - 23:30:02 PST,
Ending
Mon Mar 03 2014 - 22:00:02 PST
This period
:
Most recent messages
sort by
: [ thread ] [
author
] [
date
] [
subject
] [
attachment
]
[AMBER] MMPBSA on Protein/DNA complex
Yip Yew Mun
(Fri Jan 31 2014 - 23:12:34 PST)
Re: [AMBER] MMPBSA on Protein/DNA complex
Ray Luo, Ph.D.
(Sun Feb 02 2014 - 09:07:09 PST)
Re: [AMBER] Accuracy of solvation free energy calculated by 3D-RISM
Kayo
(Sat Feb 01 2014 - 03:38:56 PST)
Re: [AMBER] Fwd: amber
Daniel Roe
(Sat Feb 01 2014 - 07:42:46 PST)
Re: [AMBER] Fwd: amber
Daniel Roe
(Sat Feb 01 2014 - 07:54:25 PST)
Re: [AMBER] Fwd: amber
David A Case
(Sat Feb 01 2014 - 08:33:28 PST)
Re: [AMBER] Fwd: amber
Daniel Roe
(Sat Feb 01 2014 - 08:47:49 PST)
[AMBER] combine results
Saeed Nasiri
(Sun Feb 02 2014 - 00:57:05 PST)
[AMBER] Parallel running problem of MMPBSA
zhongqiao hu
(Mon Feb 03 2014 - 00:47:45 PST)
Re: [AMBER] Parallel running problem of MMPBSA
zhongqiao hu
(Mon Feb 03 2014 - 01:35:47 PST)
Re: [AMBER] Parallel running problem of MMPBSA
Jason Swails
(Mon Feb 03 2014 - 04:29:24 PST)
Re: [AMBER] Parallel running problem of MMPBSA
zhongqiao hu
(Tue Feb 04 2014 - 00:12:07 PST)
Re: [AMBER] internal energy in TI decomposition
Schackert Nico
(Mon Feb 03 2014 - 03:55:11 PST)
Re: [AMBER] internal energy in TI decomposition
Jason Swails
(Mon Feb 03 2014 - 04:21:29 PST)
Re: [AMBER] internal energy in TI decomposition
Schackert Nico
(Wed Feb 05 2014 - 05:22:14 PST)
Re: [AMBER] internal energy in TI decomposition
Jason Swails
(Wed Feb 05 2014 - 05:54:32 PST)
[AMBER] Protein insertion into a membrane
Stéphane Azoulay
(Mon Feb 03 2014 - 05:50:52 PST)
Re: [AMBER] Protein insertion into a membrane
Stéphane Azoulay
(Tue Feb 11 2014 - 00:51:33 PST)
[AMBER] RE : Protein insertion into a membrane
ABEL Stephane 175950
(Tue Feb 11 2014 - 02:51:16 PST)
Re: [AMBER] Protein insertion into a membrane
Stéphane Azoulay
(Tue Feb 11 2014 - 03:05:51 PST)
[AMBER] RE : Protein insertion into a membrane
ABEL Stephane 175950
(Tue Feb 11 2014 - 03:41:40 PST)
Re: [AMBER] RE : Protein insertion into a membrane
Stéphane Azoulay
(Tue Feb 11 2014 - 05:44:23 PST)
[AMBER] RE : RE : Protein insertion into a membrane
ABEL Stephane 175950
(Tue Feb 11 2014 - 06:00:54 PST)
Re: [AMBER] RE : RE : Protein insertion into a membrane
Stéphane Azoulay
(Tue Feb 11 2014 - 07:43:42 PST)
Re: [AMBER] RE : RE : Protein insertion into a membrane
Benjamin Madej
(Tue Feb 11 2014 - 14:41:50 PST)
[AMBER] error in extending simulation from .rst file
Nitin Sharma
(Mon Feb 03 2014 - 21:18:54 PST)
Re: [AMBER] error in extending simulation from .rst file
David A Case
(Tue Feb 04 2014 - 05:00:56 PST)
Re: [AMBER] error in extending simulation from .rst file
Jason Swails
(Tue Feb 04 2014 - 05:02:07 PST)
Re: [AMBER] error in extending simulation from .rst file
Nitin Sharma
(Tue Feb 04 2014 - 10:07:11 PST)
Re: [AMBER] error in extending simulation from .rst file
Jason Swails
(Tue Feb 04 2014 - 10:20:57 PST)
[AMBER] cpptraj: linear interaction energy - lie
Anselm Horn
(Tue Feb 04 2014 - 05:01:19 PST)
Re: [AMBER] cpptraj: linear interaction energy - lie
Jason Swails
(Tue Feb 04 2014 - 05:45:53 PST)
Re: [AMBER] cpptraj: linear interaction energy - lie
Anselm Horn
(Wed Feb 05 2014 - 01:09:37 PST)
Re: [AMBER] cpptraj: linear interaction energy - lie
Jason Swails
(Wed Feb 05 2014 - 05:45:38 PST)
[AMBER] Query on introducing a protein
Aditya Padhi
(Tue Feb 04 2014 - 21:12:10 PST)
Re: [AMBER] Query on introducing a protein
David A Case
(Wed Feb 05 2014 - 04:31:17 PST)
Re: [AMBER] Query on introducing a protein
Aditya Padhi
(Wed Feb 05 2014 - 05:01:02 PST)
[AMBER] Generating RST file using Cpptraj
Yip Yew Mun
(Tue Feb 04 2014 - 21:12:52 PST)
Re: [AMBER] Generating RST file using Cpptraj
Nitin Sharma
(Tue Feb 04 2014 - 23:24:51 PST)
[AMBER] Convergence failure
Tanmoy Paul
(Tue Feb 04 2014 - 23:30:22 PST)
Re: [AMBER] Convergence failure
Gustavo Seabra
(Wed Feb 05 2014 - 06:18:13 PST)
[AMBER] calculating rotational diffusion for a portion in a lipid
Vijay Manickam Achari
(Wed Feb 05 2014 - 01:52:30 PST)
Re: [AMBER] calculating rotational diffusion for a portion in a lipid
David A Case
(Wed Feb 05 2014 - 04:45:29 PST)
Re: [AMBER] tracking ions in protein channel
Jio M
(Wed Feb 05 2014 - 03:22:24 PST)
Re: [AMBER] tracking ions in protein channel
Daniel Roe
(Wed Feb 05 2014 - 12:41:01 PST)
[AMBER] LEAP-CHARMM
Gözde YALÇIN
(Wed Feb 05 2014 - 06:14:10 PST)
Re: [AMBER] LEAP-CHARMM
Hannes Loeffler
(Wed Feb 05 2014 - 07:15:06 PST)
Re: [AMBER] LEAP-CHARMM
Jason Swails
(Wed Feb 05 2014 - 08:05:43 PST)
Re: [AMBER] optimise ligand geomatry before MD
Nitin Sharma
(Wed Feb 05 2014 - 09:14:42 PST)
[AMBER] Specifying the number of water molecules for solvateBox
Yip Yew Mun
(Wed Feb 05 2014 - 19:01:24 PST)
Re: [AMBER] Specifying the number of water molecules for solvateBox
Jason Swails
(Wed Feb 05 2014 - 19:29:02 PST)
Re: [AMBER] Specifying the number of water molecules for solvateBox
Pawel
(Wed Feb 05 2014 - 19:47:03 PST)
Re: [AMBER] Specifying the number of water molecules for solvateBox
Yip Yew Mun
(Wed Feb 05 2014 - 20:23:03 PST)
Re: [AMBER] Specifying the number of water molecules for solvateBox
Pawel
(Wed Feb 05 2014 - 20:40:33 PST)
[AMBER] MMGBSA problem
Maryam Azimzadeh Irani
(Thu Feb 06 2014 - 00:11:41 PST)
Re: [AMBER] MMGBSA problem
Jason Swails
(Tue Feb 25 2014 - 09:32:12 PST)
[AMBER] protein amide conjugate parameters
Nahoum Anthony
(Thu Feb 06 2014 - 01:41:58 PST)
Re: [AMBER] protein amide conjugate parameters
Jason Swails
(Thu Feb 06 2014 - 04:54:50 PST)
Re: [AMBER] protein amide conjugate parameters
FyD
(Thu Feb 06 2014 - 22:31:22 PST)
[AMBER] optimization of the ligand
Mary Varughese
(Thu Feb 06 2014 - 02:04:41 PST)
Re: [AMBER] optimization of the ligand
Jason Swails
(Thu Feb 06 2014 - 04:49:16 PST)
Re: [AMBER] optimization of the ligand
David A Case
(Thu Feb 06 2014 - 05:07:27 PST)
Re: [AMBER] optimization of the ligand
Mary Varughese
(Thu Feb 06 2014 - 07:08:34 PST)
[AMBER] problem with installing amber
Hanna Thamleena
(Thu Feb 06 2014 - 02:49:19 PST)
Re: [AMBER] problem with installing amber
Jason Swails
(Thu Feb 06 2014 - 05:01:28 PST)
Re: [AMBER] problem with installing amber
David A Case
(Thu Feb 06 2014 - 05:11:21 PST)
[AMBER] mopac.sh error
sammia khatak
(Thu Feb 06 2014 - 04:43:23 PST)
Re: [AMBER] mopac.sh error
Jason Swails
(Thu Feb 06 2014 - 05:46:15 PST)
[AMBER] protein amide conjugate parameters
Nahoum Anthony
(Thu Feb 06 2014 - 04:55:33 PST)
[AMBER] Modifying Gaussian input files for the RED Server
Kamali Sripathi
(Fri Feb 07 2014 - 05:55:14 PST)
Re: [AMBER] Modifying Gaussian input files for the RED Server
FyD
(Fri Feb 07 2014 - 22:42:11 PST)
Re: [AMBER] Converting Amoeba .xyz for use with Amber
Jason Swails
(Fri Feb 07 2014 - 11:57:57 PST)
[AMBER] sander minimization issue
Arjun Sharma
(Fri Feb 07 2014 - 13:38:45 PST)
Re: [AMBER] sander minimization issue
David A Case
(Fri Feb 07 2014 - 18:06:21 PST)
[AMBER] Could not find target 281.850000 in any of the replica trajectories
sunita.tifrh.res.in
(Sat Feb 08 2014 - 03:39:30 PST)
Re: [AMBER] Could not find target 281.850000 in any of the replica trajectories
Daniel Roe
(Sat Feb 08 2014 - 09:34:09 PST)
Re: [AMBER] Could not find target 281.850000 in any of the replica trajectories
sunita.tifrh.res.in
(Mon Feb 10 2014 - 04:01:33 PST)
[AMBER] XLeap in Cygwin - Does it work?
Ilyas Yildirim
(Sat Feb 08 2014 - 06:16:30 PST)
Re: [AMBER] XLeap in Cygwin - Does it work?
Daniel Roe
(Sat Feb 08 2014 - 13:30:19 PST)
Re: [AMBER] XLeap in Cygwin - Does it work?
Ilyas Yildirim
(Sat Feb 08 2014 - 13:34:48 PST)
Re: [AMBER] XLeap in Cygwin - Does it work?
Bill Ross
(Tue Feb 11 2014 - 21:05:43 PST)
Re: [AMBER] AMBER Digest, Vol 759, Issue 1
Arjun Sharma
(Sat Feb 08 2014 - 15:15:02 PST)
Re: [AMBER] AMBER Digest, Vol 759, Issue 1
David A Case
(Sat Feb 08 2014 - 19:08:33 PST)
Re: [AMBER] AMBER Digest, Vol 760, Issue 1
Arjun Sharma
(Sun Feb 09 2014 - 12:40:16 PST)
Re: [AMBER] AMBER Digest, Vol 760, Issue 1
David A Case
(Sun Feb 09 2014 - 14:08:51 PST)
Re: [AMBER] enquiry regarding latest Amber
Ved Prakash
(Mon Feb 10 2014 - 03:36:12 PST)
Re: [AMBER] enquiry regarding latest Amber
Jason Swails
(Mon Feb 10 2014 - 04:43:19 PST)
Re: [AMBER] enquiry regarding latest Amber
Ross Walker
(Mon Feb 10 2014 - 10:10:10 PST)
Re: [AMBER] enquiry regarding latest Amber
Ved Prakash
(Tue Feb 11 2014 - 04:35:02 PST)
Re: [AMBER] enquiry regarding latest Amber
Francesco Pietra
(Tue Feb 11 2014 - 06:42:29 PST)
Re: [AMBER] enquiry regarding latest Amber
Ross Walker
(Tue Feb 11 2014 - 12:11:52 PST)
Re: [AMBER] enquiry regarding latest Amber
Francesco Pietra
(Wed Feb 12 2014 - 00:36:36 PST)
Re: [AMBER] enquiry regarding latest Amber
Ross Walker
(Wed Feb 12 2014 - 09:37:23 PST)
[AMBER] Illegal CONECT record in pdb file after mutations
Xu Zhou
(Mon Feb 10 2014 - 09:07:09 PST)
Re: [AMBER] Illegal CONECT record in pdb file after mutations
Jason Swails
(Mon Feb 10 2014 - 09:22:31 PST)
[AMBER] Does chain type matter?
David Winogradoff
(Mon Feb 10 2014 - 14:33:30 PST)
Re: [AMBER] Does chain type matter?
David A Case
(Mon Feb 10 2014 - 19:00:28 PST)
Re: [AMBER] Does chain type matter?
David Winogradoff
(Mon Feb 10 2014 - 19:44:55 PST)
Re: [AMBER] Does chain type matter?
David A Case
(Tue Feb 11 2014 - 03:34:30 PST)
Re: [AMBER] Does chain type matter?
Bill Ross
(Tue Feb 11 2014 - 21:42:26 PST)
[AMBER] PDB to prmtop inpcrd using tleap
Jheng Wei Li
(Tue Feb 11 2014 - 02:58:20 PST)
Re: [AMBER] PDB to prmtop inpcrd using tleap
David A Case
(Tue Feb 11 2014 - 03:41:20 PST)
[AMBER] about protonation state check.
setyanto md
(Tue Feb 11 2014 - 04:15:55 PST)
Re: [AMBER] about protonation state check.
Brian Radak
(Wed Feb 12 2014 - 05:37:48 PST)
[AMBER] FapydG parameters
Norbert GARNIER
(Tue Feb 11 2014 - 05:34:42 PST)
Re: [AMBER] FapydG parameters
Christina Bergonzo
(Tue Feb 11 2014 - 06:56:43 PST)
[AMBER] Total charge not zero
George Patargias
(Wed Feb 12 2014 - 02:42:10 PST)
Re: [AMBER] Total charge not zero
Jason Swails
(Wed Feb 12 2014 - 05:11:34 PST)
Re: [AMBER] Total charge not zero
George Patargias
(Wed Feb 12 2014 - 06:13:05 PST)
Re: [AMBER] Total charge not zero
Ross Walker
(Wed Feb 12 2014 - 09:39:15 PST)
Re: [AMBER] Total charge not zero
George Patargias
(Wed Feb 12 2014 - 09:46:44 PST)
Re: [AMBER] Total charge not zero
Ross Walker
(Wed Feb 12 2014 - 10:05:39 PST)
Re: [AMBER] Total charge not zero
FyD
(Wed Feb 12 2014 - 05:19:17 PST)
Re: [AMBER] Total charge not zero
George Patargias
(Wed Feb 12 2014 - 06:33:00 PST)
Re: [AMBER] Total charge not zero
George Patargias
(Wed Feb 12 2014 - 09:33:26 PST)
Re: [AMBER] Total charge not zero
FyD
(Wed Feb 12 2014 - 22:08:55 PST)
[AMBER] To post to amber list
richa anand
(Wed Feb 12 2014 - 03:17:26 PST)
Re: [AMBER] To post to amber list
Jason Swails
(Wed Feb 12 2014 - 05:05:53 PST)
[AMBER] Falling apart of membrane
Gözde YALÇIN
(Wed Feb 12 2014 - 05:24:57 PST)
Re: [AMBER] Falling apart of membrane
Dickson, Callum J
(Wed Feb 12 2014 - 06:14:00 PST)
Re: [AMBER] Falling apart of membrane
Ross Walker
(Wed Feb 12 2014 - 09:42:07 PST)
Re: [AMBER] Falling apart of membrane
Gözde YALÇIN
(Thu Feb 13 2014 - 02:51:10 PST)
Re: [AMBER] Falling apart of membrane
Gözde YALÇIN
(Tue Feb 25 2014 - 09:43:10 PST)
Re: [AMBER] Falling apart of membrane
Gözde YALÇIN
(Tue Feb 25 2014 - 09:45:11 PST)
Re: [AMBER] Falling apart of membrane
Ross Walker
(Tue Feb 25 2014 - 09:48:58 PST)
[AMBER] membrane
Gözde YALÇIN
(Wed Feb 12 2014 - 06:21:30 PST)
Re: [AMBER] nastruct
Daniel Roe
(Wed Feb 12 2014 - 07:58:01 PST)
[AMBER] Tesla K40
Chinthaka Ratnaweera
(Wed Feb 12 2014 - 13:58:46 PST)
Re: [AMBER] Tesla K40
Shaw, Sharon
(Wed Feb 12 2014 - 14:42:56 PST)
Re: [AMBER] Tesla K40
Scott Le Grand
(Wed Feb 12 2014 - 14:47:36 PST)
Re: [AMBER] Tesla K40
Chinthaka Ratnaweera
(Wed Feb 12 2014 - 15:39:27 PST)
Re: [AMBER] Tesla K40
Scott Le Grand
(Wed Feb 12 2014 - 15:48:04 PST)
Re: [AMBER] Tesla K40
Ross Walker
(Thu Feb 13 2014 - 09:39:35 PST)
Re: [AMBER] Tesla K40
Ross Walker
(Thu Feb 13 2014 - 09:52:10 PST)
Re: [AMBER] Tesla K40
Gustavo Seabra
(Wed Feb 12 2014 - 17:02:11 PST)
Re: [AMBER] Tesla K40
Scott Le Grand
(Wed Feb 12 2014 - 18:26:56 PST)
Re: [AMBER] Regarding MD simulation input files
richa anand
(Wed Feb 12 2014 - 20:12:39 PST)
[AMBER] rewriting trajectory
Hector A. Baldoni
(Thu Feb 13 2014 - 04:51:36 PST)
Re: [AMBER] rewriting trajectory
Christina Bergonzo
(Thu Feb 13 2014 - 07:31:58 PST)
[AMBER] MMGBSA decomposition for a ligand molecule
Rajeswari A.
(Thu Feb 13 2014 - 05:27:19 PST)
Re: [AMBER] MMGBSA decomposition for a ligand molecule
Jason Swails
(Thu Feb 13 2014 - 07:33:33 PST)
[AMBER] Calculating second rank Legendre polynomial C_2(t) autocorrelation function
Vijay Manickam Achari
(Thu Feb 13 2014 - 06:15:12 PST)
Re: [AMBER] Calculating second rank Legendre polynomial C_2(t) autocorrelation function
George M Giambasu
(Thu Feb 13 2014 - 06:50:30 PST)
[AMBER] TACC Stampede AMBER
David Cowburn
(Thu Feb 13 2014 - 08:40:40 PST)
Re: [AMBER] TACC Stampede AMBER
de Waal, Parker
(Thu Feb 13 2014 - 08:55:30 PST)
Re: [AMBER] TACC Stampede AMBER
de Waal, Parker
(Thu Feb 13 2014 - 09:57:01 PST)
Re: [AMBER] TACC Stampede AMBER
Ross Walker
(Thu Feb 13 2014 - 09:59:14 PST)
Re: [AMBER] TACC Stampede AMBER
Ross Walker
(Thu Feb 13 2014 - 10:06:47 PST)
[AMBER] The unperturbed charge of the unit
Nitin Sharma
(Thu Feb 13 2014 - 09:18:51 PST)
Re: [AMBER] The unperturbed charge of the unit
Jason Swails
(Thu Feb 13 2014 - 10:23:52 PST)
Re: [AMBER] The unperturbed charge of the unit
Nitin Sharma
(Thu Feb 13 2014 - 10:46:31 PST)
[AMBER] reg: the charges for methylated cytosine atoms
satyanarayan rao
(Thu Feb 13 2014 - 16:40:18 PST)
Re: [AMBER] reg: the charges for methylated cytosine atoms
Jason Swails
(Fri Feb 14 2014 - 03:04:43 PST)
Re: [AMBER] reg: the charges for methylated cytosine atoms
Filip Lankas
(Thu Feb 20 2014 - 04:34:47 PST)
Re: [AMBER] reg: the charges for methylated cytosine atoms
Jason Swails
(Thu Feb 20 2014 - 05:25:48 PST)
[AMBER] R.E.D. server seems to be down?
psu4.uic.edu
(Thu Feb 13 2014 - 21:31:33 PST)
Re: [AMBER] R.E.D. server seems to be down?
FyD
(Fri Feb 14 2014 - 09:32:41 PST)
Re: [AMBER] R.E.D. server seems to be down?
psu4.uic.edu
(Fri Feb 14 2014 - 09:40:14 PST)
[AMBER] MMPBSA/MMGBSA issues
Soumendranath Bhakat
(Thu Feb 13 2014 - 22:07:49 PST)
Re: [AMBER] MMPBSA/MMGBSA issues
Jason Swails
(Fri Feb 14 2014 - 05:13:39 PST)
Re: [AMBER] MMPBSA/MMGBSA issues
Soumendranath Bhakat
(Fri Feb 14 2014 - 05:22:12 PST)
Re: [AMBER] MMPBSA/MMGBSA issues
Jason Swails
(Fri Feb 14 2014 - 05:36:05 PST)
[AMBER] Amntechamber MOPAC and SQM
Nitin Sharma
(Thu Feb 13 2014 - 23:36:49 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
hannes.loeffler.stfc.ac.uk
(Fri Feb 14 2014 - 00:22:03 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
David A Case
(Fri Feb 14 2014 - 05:43:29 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
Nitin Sharma
(Fri Feb 14 2014 - 10:58:53 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
Nitin Sharma
(Fri Feb 14 2014 - 18:04:44 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
David A Case
(Sat Feb 15 2014 - 07:33:56 PST)
Re: [AMBER] Amntechamber MOPAC and SQM
Nitin Sharma
(Sat Feb 15 2014 - 08:13:04 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Yi Shang
(Fri Feb 14 2014 - 08:15:53 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Jason Swails
(Fri Feb 14 2014 - 08:24:30 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Ross Walker
(Fri Feb 14 2014 - 10:29:01 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Yi Shang
(Fri Feb 14 2014 - 10:51:27 PST)
Re: [AMBER] differences in PBSA energies (INP=1 verses INP=2)
Divi/GMAIL
(Sat Feb 15 2014 - 09:29:21 PST)
Re: [AMBER] differences in PBSA energies (INP=1 verses INP=2)
Ray Luo, Ph.D.
(Sat Feb 15 2014 - 10:47:48 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Jason Swails
(Fri Feb 14 2014 - 11:09:36 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Ross Walker
(Fri Feb 14 2014 - 11:23:52 PST)
[AMBER] MM-PBSA problem
almarques
(Fri Feb 14 2014 - 11:26:10 PST)
Re: [AMBER] MM-PBSA problem
almarques
(Fri Feb 14 2014 - 11:28:18 PST)
Re: [AMBER] MM-PBSA problem
Ray Luo, Ph.D.
(Fri Feb 14 2014 - 12:05:18 PST)
Re: [AMBER] MM-PBSA problem
almarques
(Sat Feb 15 2014 - 01:45:38 PST)
Re: [AMBER] MM-PBSA problem
almarques
(Sat Feb 15 2014 - 03:37:36 PST)
Re: [AMBER] using chamber to convert psf generated by VMD
Yi Shang
(Sun Feb 23 2014 - 21:32:44 PST)
[AMBER] PDDG-PM3/MMGBSA calculation
Giovanni Grazioso
(Fri Feb 14 2014 - 08:26:49 PST)
Re: [AMBER] PDDG-PM3/MMGBSA calculation
Jason Swails
(Sat Feb 15 2014 - 08:13:13 PST)
Re: [AMBER] PDDG-PM3/MMGBSA calculation
Jason Swails
(Sat Feb 15 2014 - 09:08:16 PST)
[AMBER] distance and angle rst to zinc atoms
Jorgen Simonsen
(Fri Feb 14 2014 - 12:10:21 PST)
Re: [AMBER] distance and angle rst to zinc atoms
David A Case
(Fri Feb 14 2014 - 12:45:17 PST)
Re: [AMBER] distance and angle rst to zinc atoms
Jorgen Simonsen
(Fri Feb 14 2014 - 14:17:40 PST)
Re: [AMBER] distance and angle rst to zinc atoms
David A Case
(Sat Feb 15 2014 - 07:31:24 PST)
[AMBER] MMGBSA/BSA electrostatic energy values very high
Rajesh Kumar
(Sat Feb 15 2014 - 04:01:35 PST)
Re: [AMBER] MMGBSA/BSA electrostatic energy values very high
Jason Swails
(Sat Feb 15 2014 - 08:10:41 PST)
[AMBER] Ris:Re: PDDG-PM3/MMGBSA calculation
Giovanni Grazioso
(Sat Feb 15 2014 - 11:49:44 PST)
Re: [AMBER] Ris:Re: PDDG-PM3/MMGBSA calculation
Jason Swails
(Sat Feb 15 2014 - 18:13:13 PST)
Re: [AMBER] Ris:Re: PDDG-PM3/MMGBSA calculation
Giovanni Grazioso
(Tue Feb 18 2014 - 08:05:37 PST)
[AMBER] Charge on zinc ion bound to residues.
nalini chauhan
(Sat Feb 15 2014 - 22:56:49 PST)
Re: [AMBER] Charge on zinc ion bound to residues.
tongzhu9110
(Sat Feb 15 2014 - 23:08:17 PST)
Re: [AMBER] Charge on zinc ion bound to residues.
FyD
(Sun Feb 16 2014 - 03:30:13 PST)
[AMBER] error with md simulation
Zahra Khatti
(Sun Feb 16 2014 - 13:22:40 PST)
Re: [AMBER] error with md simulation
David A Case
(Sun Feb 16 2014 - 14:46:47 PST)
[AMBER] Fw: error with md simulation
Zahra Khatti
(Mon Feb 17 2014 - 09:00:37 PST)
Re: [AMBER] Fw: error with md simulation
David A Case
(Mon Feb 17 2014 - 17:23:47 PST)
[AMBER] Correlation times
Mutangana Dieudonne
(Mon Feb 17 2014 - 00:45:29 PST)
Re: [AMBER] Correlation times
psu4.uic.edu
(Mon Feb 17 2014 - 10:44:10 PST)
[AMBER] GLYCAM parameters for cis double conformation
ABEL Stephane 175950
(Mon Feb 17 2014 - 05:35:54 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
Lachele Foley
(Mon Feb 17 2014 - 07:08:52 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
Karl Kirschner
(Mon Feb 17 2014 - 07:26:34 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
Lachele Foley
(Mon Feb 17 2014 - 07:33:59 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
ABEL Stephane 175950
(Mon Feb 17 2014 - 08:00:20 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
Karl Kirschner
(Fri Feb 21 2014 - 01:22:22 PST)
Re: [AMBER] GLYCAM parameters for cis double conformation
ABEL Stephane 175950
(Fri Feb 21 2014 - 02:34:12 PST)
[AMBER] amber 14 release
psu4.uic.edu
(Mon Feb 17 2014 - 10:58:59 PST)
Re: [AMBER] amber 14 release
Ross Walker
(Mon Feb 17 2014 - 11:18:25 PST)
Re: [AMBER] amber 14 release
Jason Swails
(Mon Feb 17 2014 - 12:34:07 PST)
Re: [AMBER] amber 14 release
psu4.uic.edu
(Sun Feb 23 2014 - 12:46:38 PST)
Re: [AMBER] amber 14 release
Ross Walker
(Sun Feb 23 2014 - 16:34:51 PST)
[AMBER] Compiling amber12 with openmp
Quentin Kaas
(Mon Feb 17 2014 - 21:09:34 PST)
Re: [AMBER] Compiling amber12 with openmp
Eugene Yedvabny
(Mon Feb 17 2014 - 22:12:04 PST)
[AMBER] CUDA 4 support in future Amber
Eugene Yedvabny
(Mon Feb 17 2014 - 22:44:23 PST)
Re: [AMBER] CUDA 4 support in future Amber
Ross Walker
(Mon Feb 17 2014 - 23:04:41 PST)
[AMBER] Question about force field parameters for RDX and PETN
Ganesh Kamath
(Tue Feb 18 2014 - 06:23:16 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
ABEL Stephane 175950
(Tue Feb 18 2014 - 06:30:20 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
Ganesh Kamath
(Tue Feb 18 2014 - 06:51:56 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
Ilyas Yildirim
(Tue Feb 18 2014 - 07:05:22 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
ABEL Stephane 175950
(Tue Feb 18 2014 - 07:24:16 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
FyD
(Tue Feb 18 2014 - 12:19:21 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
Ganesh Kamath
(Tue Feb 18 2014 - 13:38:23 PST)
Re: [AMBER] Question about force field parameters for RDX and PETN
FyD
(Tue Feb 18 2014 - 22:40:19 PST)
[AMBER] Postdoctoral position
Fernando Martín García
(Tue Feb 18 2014 - 08:30:00 PST)
[AMBER] ACS COMP Division student and junior faculty awards for Fall 2014 meeting in San Francisco
Carlos Simmerling
(Tue Feb 18 2014 - 13:30:45 PST)
[AMBER] Bond continues to break in simulation even after the bond command was used.
Yip Yew Mun
(Tue Feb 18 2014 - 20:04:33 PST)
Re: [AMBER] Bond continues to break in simulation even after the bond command was used.
Daniel Roe
(Tue Feb 18 2014 - 21:44:26 PST)
[AMBER] Print Pressure value by using PMEMD
kurisaki
(Tue Feb 18 2014 - 21:42:33 PST)
Re: [AMBER] Print Pressure value by using PMEMD
Ross Walker
(Tue Feb 18 2014 - 21:52:05 PST)
Re: [AMBER] Print Pressure value by using PMEMD
Daniel Roe
(Tue Feb 18 2014 - 21:53:41 PST)
Re: [AMBER] Print Pressure value by using PMEMD
kurisaki
(Tue Feb 18 2014 - 22:22:32 PST)
Re: [AMBER] Problems with mmpbsa
Jason Swails
(Wed Feb 19 2014 - 04:53:05 PST)
[AMBER] AmberTools13-conformational search in MTK++
Sun
(Wed Feb 19 2014 - 05:14:09 PST)
Re: [AMBER] AmberTools13-conformational search in MTK++
Jason Swails
(Wed Feb 19 2014 - 05:36:57 PST)
Re: [AMBER] AmberTools13-conformational search in MTK++
Sun
(Wed Feb 19 2014 - 05:51:22 PST)
[AMBER] Bad topology file. Sum of ATOMS_PER_MOLECULE does not equal NATOM
Saeed Nasiri
(Wed Feb 19 2014 - 06:17:00 PST)
Re: [AMBER] Bad topology file. Sum of ATOMS_PER_MOLECULE does not equal NATOM
Daniel Roe
(Wed Feb 19 2014 - 07:12:37 PST)
Re: [AMBER] Bad topology file. Sum of ATOMS_PER_MOLECULE does not equal NATOM
David A Case
(Wed Feb 19 2014 - 07:13:13 PST)
[AMBER] Fwd: Contact angle simulation of brine drop onto halite NaCl surface -different results between Amber11 and Amber12
Vu Truong
(Wed Feb 19 2014 - 12:52:12 PST)
Re: [AMBER] Fwd: Contact angle simulation of brine drop onto halite NaCl surface -different results between Amber11 and Amber12
David A Case
(Wed Feb 19 2014 - 18:09:58 PST)
[AMBER] What does "Bond types are assigned for valence state 1 with penalty of 1" mean?
Yew Mun Yip
(Wed Feb 19 2014 - 20:37:13 PST)
Re: [AMBER] What does "Bond types are assigned for valence state 1 with penalty of 1" mean?
David A Case
(Thu Feb 20 2014 - 09:22:46 PST)
[AMBER] MMPBSA binding energy for all frames
Arun Kumar Somavarapu
(Thu Feb 20 2014 - 03:12:56 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Thu Feb 20 2014 - 03:18:29 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Arun Kumar Somavarapu
(Thu Feb 20 2014 - 03:45:19 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Thu Feb 20 2014 - 04:39:13 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Arun Kumar Somavarapu
(Thu Feb 20 2014 - 08:55:25 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Jason Swails
(Thu Feb 20 2014 - 09:29:44 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Thu Feb 20 2014 - 09:51:52 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Thu Feb 20 2014 - 10:42:44 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Arun Kumar Somavarapu
(Fri Feb 21 2014 - 03:56:52 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Fri Feb 21 2014 - 04:41:34 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Arun Kumar Somavarapu
(Mon Feb 24 2014 - 05:21:27 PST)
Re: [AMBER] MMPBSA binding energy for all frames
Vlad Cojocaru
(Mon Feb 24 2014 - 05:34:25 PST)
Re: [AMBER] Atom does not have a type.
Javier Alejandro Rendon Carrillo
(Thu Feb 20 2014 - 07:09:52 PST)
Re: [AMBER] Atom does not have a type.
Jason Swails
(Thu Feb 20 2014 - 07:26:08 PST)
Re: [AMBER] Atom does not have a type.
Javier Alejandro Rendon Carrillo
(Thu Feb 20 2014 - 08:12:00 PST)
Re: [AMBER] Atom does not have a type.
Aldo Segura
(Thu Feb 20 2014 - 07:35:35 PST)
Re: [AMBER] Atom does not have a type.
Javier Alejandro Rendon Carrillo
(Thu Feb 20 2014 - 08:23:44 PST)
Re: [AMBER] Atom does not have a type.
Aldo Segura
(Thu Feb 20 2014 - 08:38:47 PST)
Re: [AMBER] Atom does not have a type.
Aldo Segura
(Thu Feb 20 2014 - 08:47:10 PST)
[AMBER] defects in modified parameter with parmed.py
Saeed Nasiri
(Fri Feb 21 2014 - 01:49:39 PST)
Re: [AMBER] defects in modified parameter with parmed.py
Daniel Roe
(Fri Feb 21 2014 - 05:34:54 PST)
Re: [AMBER] defects in modified parameter with parmed.py
Jason Swails
(Fri Feb 21 2014 - 06:04:49 PST)
[AMBER] MMPBSA.py and entropy
Fernando Martín García
(Fri Feb 21 2014 - 07:38:55 PST)
Re: [AMBER] MMPBSA.py and entropy
Hannes Loeffler
(Fri Feb 21 2014 - 08:04:55 PST)
[AMBER] MMPBSA.py error
almarques
(Mon Feb 24 2014 - 03:31:18 PST)
Re: [AMBER] MMPBSA.py error
Jason Swails
(Mon Feb 24 2014 - 05:13:31 PST)
Re: [AMBER] MMPBSA.py error
almarques
(Mon Feb 24 2014 - 06:28:09 PST)
Re: [AMBER] MMPBSA.py error
Jason Swails
(Mon Feb 24 2014 - 06:57:57 PST)
Re: [AMBER] MMPBSA.py error
almarques
(Wed Feb 26 2014 - 14:13:38 PST)
Re: [AMBER] MMPBSA.py error
Jason Swails
(Thu Feb 27 2014 - 09:37:21 PST)
Re: [AMBER] MMPBSA.py error
almarques
(Fri Feb 28 2014 - 07:35:22 PST)
Re: [AMBER] MMPBSA.py error
Jason Swails
(Fri Feb 28 2014 - 08:02:53 PST)
Re: [AMBER] MMPBSA.py and entropy
Javier Alejandro Rendon Carrillo
(Wed Feb 26 2014 - 22:05:46 PST)
Re: [AMBER] MMPBSA.py and entropy
hannes.loeffler.stfc.ac.uk
(Wed Feb 26 2014 - 23:05:02 PST)
Re: [AMBER] MMPBSA.py and entropy
Aldo Segura
(Thu Feb 27 2014 - 06:03:54 PST)
[AMBER] GTX-Titan Black Edition Timings
Ross Walker
(Fri Feb 21 2014 - 13:17:26 PST)
Re: [AMBER] GTX-Titan Black Edition Timings
filip fratev
(Fri Feb 21 2014 - 14:19:41 PST)
[AMBER] Unable to apply patches on AmberTools 13
George Tzotzos
(Fri Feb 21 2014 - 16:17:56 PST)
Re: [AMBER] Unable to apply patches on AmberTools 13
Jason Swails
(Fri Feb 21 2014 - 19:37:30 PST)
[AMBER] broken bond in minimization
Zahra Khatti
(Sat Feb 22 2014 - 21:35:34 PST)
Re: [AMBER] broken bond in minimization
Dr. Vitaly Chaban
(Sun Feb 23 2014 - 05:26:59 PST)
Re: [AMBER] broken bond in minimization
Zahra Khatti
(Sun Feb 23 2014 - 07:04:57 PST)
Re: [AMBER] broken bond in minimization
Jason Swails
(Sun Feb 23 2014 - 07:38:08 PST)
[AMBER] Amber12 CUDA input file
richa anand
(Sat Feb 22 2014 - 21:45:13 PST)
Re: [AMBER] Amber12 CUDA input file
Jason Swails
(Sun Feb 23 2014 - 07:30:37 PST)
[AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Ali M. Naserian-Nik
(Sun Feb 23 2014 - 00:16:10 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Jason Swails
(Sun Feb 23 2014 - 07:42:17 PST)
[AMBER] PME with cutoff = 0
FyD
(Sun Feb 23 2014 - 09:19:23 PST)
Re: [AMBER] PME with cutoff = 0
Ross Walker
(Sun Feb 23 2014 - 09:38:49 PST)
Re: [AMBER] PME with cutoff = 0
Duke, Robert E Jr
(Sun Feb 23 2014 - 11:06:33 PST)
Re: [AMBER] PME with cutoff = 0
FyD
(Mon Feb 24 2014 - 01:31:26 PST)
Re: [AMBER] PME with cutoff = 0
Jason Swails
(Mon Feb 24 2014 - 05:45:57 PST)
Re: [AMBER] PME with cutoff = 0
Ross Walker
(Mon Feb 24 2014 - 09:54:00 PST)
Re: [AMBER] PME with cutoff = 0
FyD
(Tue Feb 25 2014 - 22:34:17 PST)
Re: [AMBER] PME with cutoff = 0
Jason Swails
(Wed Feb 26 2014 - 05:03:33 PST)
Re: [AMBER] PME with cutoff = 0
Duke, Robert E Jr
(Mon Feb 24 2014 - 09:44:49 PST)
Re: [AMBER] PME with cutoff = 0
FyD
(Tue Feb 25 2014 - 22:19:35 PST)
Re: [AMBER] PME with cutoff = 0
FyD
(Mon Feb 24 2014 - 04:52:45 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Ali M. Naserian-Nik
(Sun Feb 23 2014 - 09:48:51 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Adrian Roitberg
(Sun Feb 23 2014 - 09:53:02 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Ali M. Naserian-Nik
(Sun Feb 23 2014 - 11:45:57 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Jason Swails
(Sun Feb 23 2014 - 10:12:05 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Ali M. Naserian-Nik
(Sun Feb 23 2014 - 11:33:33 PST)
Re: [AMBER] SMD Problem: r4 and r4a values are not read from the restraint file
Jason Swails
(Sun Feb 23 2014 - 17:52:09 PST)
[AMBER] How to prepare the leap files for protein residues covalently bonded to ligand?
Yip Yew Mun
(Sun Feb 23 2014 - 04:53:10 PST)
Re: [AMBER] How to prepare the leap files for protein residues covalently bonded to ligand?
Jason Swails
(Sun Feb 23 2014 - 07:39:57 PST)
Re: [AMBER] How to prepare the leap files for protein residues covalently bonded to ligand?
Nitin Sharma
(Sun Feb 23 2014 - 10:31:54 PST)
Re: [AMBER] How to prepare the leap files for protein residues covalently bonded to ligand?
#YIP YEW MUN#
(Sun Feb 23 2014 - 17:40:51 PST)
[AMBER] New bonds in PyMol?
de Waal, Parker
(Sun Feb 23 2014 - 20:37:02 PST)
Re: [AMBER] New bonds in PyMol?
David A Case
(Mon Feb 24 2014 - 04:43:51 PST)
Re: [AMBER] New bonds in PyMol?
de Waal, Parker
(Mon Feb 24 2014 - 05:11:09 PST)
[AMBER] pmemd.CUDA.mpi micro-second long simulation
psu4.uic.edu
(Sun Feb 23 2014 - 22:58:42 PST)
Re: [AMBER] pmemd.CUDA.mpi micro-second long simulation
Ross Walker
(Mon Feb 24 2014 - 07:26:46 PST)
Re: [AMBER] pmemd.CUDA.mpi micro-second long simulation
Carlos Simmerling
(Mon Feb 24 2014 - 07:33:23 PST)
[AMBER] pbsa calculation using sander
Sun
(Mon Feb 24 2014 - 00:01:20 PST)
Re: [AMBER] pbsa calculation using sander
David A Case
(Mon Feb 24 2014 - 04:47:09 PST)
Re: [AMBER] pbsa calculation using sander
Sun
(Mon Feb 24 2014 - 04:58:43 PST)
Re: [AMBER] pbsa calculation using sander
Jason Swails
(Mon Feb 24 2014 - 05:11:13 PST)
Re: [AMBER] pbsa calculation using sander
Sun
(Mon Feb 24 2014 - 05:29:48 PST)
[AMBER] asking about pmemd and GTX 660 Ti compatibility
setyanto md
(Mon Feb 24 2014 - 00:31:46 PST)
Re: [AMBER] asking about pmemd and GTX 660 Ti compatibility
Jason Swails
(Mon Feb 24 2014 - 05:07:49 PST)
Re: [AMBER] asking about pmemd and GTX 660 Ti compatibility
Setyanto Md
(Mon Feb 24 2014 - 23:28:24 PST)
[AMBER] request for help in analysis
Robin Jain
(Mon Feb 24 2014 - 01:11:49 PST)
Re: [AMBER] request for help in analysis
Daniel Roe
(Wed Feb 26 2014 - 07:17:06 PST)
[AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Arun Kumar Somavarapu
(Mon Feb 24 2014 - 01:12:04 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Karl Kirschner
(Mon Feb 24 2014 - 01:57:18 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Arun Kumar Somavarapu
(Mon Feb 24 2014 - 02:20:09 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
David A Case
(Mon Feb 24 2014 - 04:50:53 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Arun Kumar Somavarapu
(Mon Feb 24 2014 - 05:08:28 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Karl Kirschner
(Mon Feb 24 2014 - 06:50:43 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
Arun Kumar Somavarapu
(Mon Feb 24 2014 - 08:47:54 PST)
Re: [AMBER] using ff99SB forcefiled to a complex where ligand charge is from Glycam_04
FyD
(Mon Feb 24 2014 - 02:49:54 PST)
[AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Mon Feb 24 2014 - 01:45:58 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
David A Case
(Mon Feb 24 2014 - 04:54:50 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Mon Feb 24 2014 - 08:56:44 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Jason Swails
(Mon Feb 24 2014 - 09:10:04 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Mon Feb 24 2014 - 09:22:06 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Jason Swails
(Mon Feb 24 2014 - 09:55:47 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Tue Feb 25 2014 - 01:58:35 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Jason Swails
(Tue Feb 25 2014 - 04:56:24 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Tue Feb 25 2014 - 08:18:22 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
ABEL Stephane 175950
(Tue Feb 25 2014 - 08:59:00 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Jason Swails
(Tue Feb 25 2014 - 09:28:58 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Tue Feb 25 2014 - 09:42:24 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Thomas Cheatham
(Tue Feb 25 2014 - 09:54:05 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Jason Swails
(Tue Feb 25 2014 - 10:04:46 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
David A Case
(Mon Feb 24 2014 - 10:32:28 PST)
Re: [AMBER] Shake problem: Coordinate resetting (SHAKE) cannot be accomplished
Mele N.
(Tue Feb 25 2014 - 02:47:24 PST)
[AMBER] GTX670
Deák Robert
(Mon Feb 24 2014 - 03:01:26 PST)
Re: [AMBER] GTX670
Scott Le Grand
(Mon Feb 24 2014 - 08:03:08 PST)
Re: [AMBER] GTX670
Ross Walker
(Mon Feb 24 2014 - 08:12:43 PST)
Re: [AMBER] GTX670
Deák Robert
(Mon Feb 24 2014 - 08:30:15 PST)
Re: [AMBER] GTX670
Ross Walker
(Mon Feb 24 2014 - 09:26:52 PST)
Re: [AMBER] GTX670
Deák Robert
(Thu Feb 27 2014 - 02:22:57 PST)
Re: [AMBER] GTX670
Gould, Ian R
(Mon Feb 24 2014 - 08:33:59 PST)
Re: [AMBER] GTX670
Deák Robert
(Mon Feb 24 2014 - 08:48:52 PST)
Re: [AMBER] GTX670
Carlos Simmerling
(Mon Feb 24 2014 - 09:03:48 PST)
Re: [AMBER] ERROR in sidechain.bcl file in MCPB
nalini chauhan
(Mon Feb 24 2014 - 09:23:47 PST)
Re: [AMBER] ERROR in sidechain.bcl file in MCPB
Jason Swails
(Mon Feb 24 2014 - 18:09:44 PST)
[AMBER] Fwd: RE: ERROR in sidechain.bcl file in MCPB
nalini chauhan
(Mon Feb 24 2014 - 22:43:44 PST)
[AMBER] Error In Amber installation
Arunima Shilpi
(Mon Feb 24 2014 - 21:03:27 PST)
Re: [AMBER] Error In Amber installation
Ross Walker
(Mon Feb 24 2014 - 21:10:58 PST)
[AMBER] about MCPB : addFragment terminal/CH3
Setyanto Md
(Tue Feb 25 2014 - 04:48:17 PST)
Re: [AMBER] about MCPB : addFragment terminal/CH3
Jason Swails
(Tue Feb 25 2014 - 05:17:57 PST)
[AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Tue Feb 25 2014 - 08:52:51 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Bill Miller III
(Tue Feb 25 2014 - 12:10:39 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Tue Feb 25 2014 - 12:21:31 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Tue Feb 25 2014 - 14:16:30 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Tue Feb 25 2014 - 15:58:37 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Tue Feb 25 2014 - 16:56:48 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Wed Feb 26 2014 - 12:18:38 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Wed Feb 26 2014 - 14:13:44 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Wed Feb 26 2014 - 14:37:53 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Wed Feb 26 2014 - 16:31:27 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Thu Feb 27 2014 - 09:16:25 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Thu Feb 27 2014 - 09:27:51 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Thu Feb 27 2014 - 09:49:51 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Thu Feb 27 2014 - 11:08:36 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Thu Feb 27 2014 - 11:27:18 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Thu Feb 27 2014 - 11:44:17 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
George Tzotzos
(Thu Feb 27 2014 - 12:08:18 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Thu Feb 27 2014 - 12:19:41 PST)
Re: [AMBER] MMPBSA.py.MPI hangs
Jason Swails
(Tue Feb 25 2014 - 12:23:37 PST)
[AMBER] Calculating parameters for glycosides
R R S Pissurlenkar
(Tue Feb 25 2014 - 09:20:49 PST)
Re: [AMBER] Calculating parameters for glycosides
Lachele Foley
(Tue Feb 25 2014 - 10:51:03 PST)
Re: [AMBER] Calculating parameters for glycosides
FyD
(Tue Feb 25 2014 - 22:42:58 PST)
[AMBER] Adaptive Biasing calculations
Geoffrey Gray
(Tue Feb 25 2014 - 13:21:06 PST)
Re: [AMBER] Adaptive Biasing calculations
de Waal, Parker
(Tue Feb 25 2014 - 14:14:03 PST)
Re: [AMBER] Adaptive Biasing calculations
Geoffrey Gray
(Tue Feb 25 2014 - 16:46:17 PST)
[AMBER] error in amber installation
Arunima Shilpi
(Tue Feb 25 2014 - 22:07:26 PST)
Re: [AMBER] error in amber installation
Kshatresh Dutta Dubey
(Tue Feb 25 2014 - 22:25:45 PST)
[AMBER] no pdb file after running nab /AMBER11
Urszula Uciechowska
(Wed Feb 26 2014 - 00:57:04 PST)
Re: [AMBER] no pdb file after running nab /AMBER11
David A Case
(Wed Feb 26 2014 - 04:54:19 PST)
[AMBER] Change email address
Fernando Martín García
(Wed Feb 26 2014 - 02:55:12 PST)
Re: [AMBER] Change email address
David A Case
(Wed Feb 26 2014 - 04:55:20 PST)
[AMBER] Pmf ....restrain
Rasha Alqus
(Wed Feb 26 2014 - 03:29:02 PST)
Re: [AMBER] Pmf ....restrain
David A Case
(Wed Feb 26 2014 - 04:58:05 PST)
[AMBER] aligning
Jio M
(Wed Feb 26 2014 - 06:09:40 PST)
Re: [AMBER] aligning
Daniel Roe
(Wed Feb 26 2014 - 07:12:36 PST)
Re: [AMBER] aligning
Jio M
(Wed Feb 26 2014 - 07:27:29 PST)
Re: [AMBER] aligning
Daniel Roe
(Wed Feb 26 2014 - 07:38:23 PST)
Re: [AMBER] aligning
Jio M
(Wed Feb 26 2014 - 08:22:27 PST)
Re: [AMBER] aligning
Daniel Roe
(Wed Feb 26 2014 - 17:23:49 PST)
Re: [AMBER] aligning
Jio M
(Thu Feb 27 2014 - 05:14:29 PST)
Re: [AMBER] aligning
Daniel Roe
(Thu Feb 27 2014 - 07:37:36 PST)
Re: [AMBER] aligning
Jio M
(Thu Feb 27 2014 - 08:14:59 PST)
[AMBER] Including amino acid backbone into QM part during QM/MM
Dmitry Nilov
(Wed Feb 26 2014 - 06:17:34 PST)
Re: [AMBER] Including amino acid backbone into QM part during QM/MM
Andreas Goetz
(Wed Feb 26 2014 - 14:44:16 PST)
Re: [AMBER] Including amino acid backbone into QM part during QM/MM
Dmitry Nilov
(Wed Feb 26 2014 - 23:59:50 PST)
[AMBER] LIPID 14
Ghulam Mustafa
(Wed Feb 26 2014 - 10:12:04 PST)
Re: [AMBER] LIPID 14
Jason Swails
(Wed Feb 26 2014 - 10:16:43 PST)
Re: [AMBER] LIPID 14
Jason Swails
(Wed Feb 26 2014 - 10:17:04 PST)
[AMBER] Forcefield for transition metals
Kshatresh Dutta Dubey
(Wed Feb 26 2014 - 13:39:46 PST)
Re: [AMBER] Forcefield for transition metals
de Waal, Parker
(Wed Feb 26 2014 - 14:05:09 PST)
Re: [AMBER] Forcefield for transition metals
Kshatresh Dutta Dubey
(Wed Feb 26 2014 - 14:17:57 PST)
Re: [AMBER] Forcefield for transition metals
de Waal, Parker
(Wed Feb 26 2014 - 14:50:33 PST)
Re: [AMBER] Forcefield for transition metals
Thomas Cheatham
(Wed Feb 26 2014 - 19:57:39 PST)
Re: [AMBER] Forcefield for transition metals
Kshatresh Dutta Dubey
(Wed Feb 26 2014 - 21:32:30 PST)
[AMBER] Charged Ions Sticking Together
Alexander Chiu
(Wed Feb 26 2014 - 17:11:16 PST)
Re: [AMBER] Charged Ions Sticking Together
Thomas Cheatham
(Wed Feb 26 2014 - 19:28:47 PST)
Re: [AMBER] Charged Ions Sticking Together
Jio M
(Thu Feb 27 2014 - 06:57:33 PST)
[AMBER] Problem running amber on some gpu's
Jagga Soorma
(Wed Feb 26 2014 - 21:31:01 PST)
Re: [AMBER] Problem running amber on some gpu's
Ross Walker
(Wed Feb 26 2014 - 21:43:49 PST)
Re: [AMBER] Problem running amber on some gpu's
David A Case
(Thu Feb 27 2014 - 04:55:32 PST)
[AMBER] Force field generation
Gargi Borgohai
(Wed Feb 26 2014 - 22:13:14 PST)
Re: [AMBER] Force field generation
hannes.loeffler.stfc.ac.uk
(Thu Feb 27 2014 - 00:30:39 PST)
Re: [AMBER] Force field generation
David A Case
(Thu Feb 27 2014 - 04:59:24 PST)
[AMBER] Amber 12 bugfix 22
ahmed.sajid.stfc.ac.uk
(Thu Feb 27 2014 - 01:26:43 PST)
Re: [AMBER] Amber 12 bugfix 22
Jason Swails
(Thu Feb 27 2014 - 05:22:57 PST)
Re: [AMBER] Amber 12 bugfix 22
ahmed.sajid.stfc.ac.uk
(Thu Feb 27 2014 - 05:23:26 PST)
[AMBER] Desmond vs Amber vs Analysis vs VMD
Soumendranath Bhakat
(Thu Feb 27 2014 - 06:05:51 PST)
Re: [AMBER] Desmond vs Amber vs Analysis vs VMD
Jason Swails
(Thu Feb 27 2014 - 06:28:54 PST)
Re: [AMBER] Desmond vs Amber vs Analysis vs VMD
filip fratev
(Thu Feb 27 2014 - 07:10:44 PST)
[AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Yew Mun Yip
(Thu Feb 27 2014 - 07:11:00 PST)
Re: [AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Daniel Roe
(Thu Feb 27 2014 - 07:55:45 PST)
Re: [AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Nitin Sharma
(Thu Feb 27 2014 - 07:58:21 PST)
Re: [AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Yip Yew Mun
(Thu Feb 27 2014 - 08:05:31 PST)
Re: [AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Nitin Sharma
(Thu Feb 27 2014 - 08:11:35 PST)
Re: [AMBER] Unable to read coords from XXX.rst - How can I resolve this once and for all?
Daniel Roe
(Thu Feb 27 2014 - 08:21:29 PST)
[AMBER] alanine scanning and free energy decomposition
Nitin Sharma
(Thu Feb 27 2014 - 07:40:36 PST)
Re: [AMBER] alanine scanning and free energy decomposition
Bill Miller III
(Thu Feb 27 2014 - 12:21:30 PST)
Re: [AMBER] alanine scanning and free energy decomposition
Nitin Sharma
(Thu Feb 27 2014 - 19:33:51 PST)
[AMBER] Cpptraj bridge
Alessandra Lacetera
(Thu Feb 27 2014 - 09:33:03 PST)
Re: [AMBER] Cpptraj bridge
Daniel Roe
(Thu Feb 27 2014 - 09:48:16 PST)
Re: [AMBER] Cpptraj bridge
Alessandra Lacetera
(Fri Feb 28 2014 - 07:05:01 PST)
[AMBER] corrplane in cpptraj and ptraj
Michael F. Bruist
(Thu Feb 27 2014 - 11:52:26 PST)
Re: [AMBER] corrplane in cpptraj and ptraj
Daniel Roe
(Thu Feb 27 2014 - 15:18:26 PST)
Re: [AMBER] corrplane in cpptraj and ptraj
Michael F. Bruist
(Fri Feb 28 2014 - 11:59:57 PST)
[AMBER] Fwd:
James Luginsland
(Thu Feb 27 2014 - 17:49:25 PST)
[AMBER] Fwd:
James Luginsland
(Thu Feb 27 2014 - 18:15:21 PST)
[AMBER] CDC20 / temperature
David A Case
(Thu Feb 27 2014 - 19:09:08 PST)
[AMBER] MMPBSA.py positive delta G?
de Waal, Parker
(Thu Feb 27 2014 - 21:11:22 PST)
Re: [AMBER] MMPBSA.py positive delta G?
de Waal, Parker
(Thu Feb 27 2014 - 21:49:02 PST)
Re: [AMBER] MMPBSA.py positive delta G?
Jason Swails
(Fri Feb 28 2014 - 05:00:06 PST)
[AMBER] error in creating topology file
Arunima Shilpi
(Thu Feb 27 2014 - 23:19:16 PST)
Re: [AMBER] error in creating topology file
Jason Swails
(Fri Feb 28 2014 - 05:07:36 PST)
[AMBER] TI calculation Fatal error in PMPI_Bcast
Changqing Yan
(Thu Feb 27 2014 - 23:40:33 PST)
Re: [AMBER] TI calculation Fatal error in PMPI_Bcast
Ying-Chieh Sun
(Fri Feb 28 2014 - 00:29:03 PST)
Re: [AMBER] TI calculation Fatal error in PMPI_Bcast
Jason Swails
(Fri Feb 28 2014 - 05:12:43 PST)
Re: [AMBER] TI calculation Fatal error in PMPI_Bcast
David A Case
(Fri Feb 28 2014 - 05:04:44 PST)
Re: [AMBER] TI calculation Fatal error in PMPI_Bcast
Jason Swails
(Fri Feb 28 2014 - 05:11:54 PST)
[AMBER] error in editing Ligand file
Arunima Shilpi
(Fri Feb 28 2014 - 07:13:29 PST)
Re: [AMBER] error in editing Ligand file
Jason Swails
(Fri Feb 28 2014 - 07:36:29 PST)
[AMBER] mass
Zahra Khatti
(Sun Feb 23 2014 - 12:47:18 PST)
Last message date
:
Mon Mar 03 2014 - 22:00:02 PST
Archived on
: Fri Apr 19 2024 - 05:54:40 PDT
471 messages
sort by
: [ thread ] [
author
] [
date
] [
subject
] [
attachment
]
Custom Search
