Amber Archive Jun 2013: by author

#YIP YEW MUN#
- [AMBER] Step by step tutorial to using Ptraj in generating DCCM (Wed Jun 12 2013 - 18:22:20 PDT)
Aditya Padhi
- Re: [AMBER] Job stops due to INFO: Old style inpcrd file read (Tue Jun 18 2013 - 11:23:38 PDT)
- [AMBER] Job stops due to INFO: Old style inpcrd file read (Tue Jun 18 2013 - 08:32:28 PDT)
Albert
- [AMBER] csh problem (Wed Jun 12 2013 - 10:44:08 PDT)
Alessandro Contini
- Re: [AMBER] Force-field for non-native peptide containing fluoride (Wed Jun 26 2013 - 08:56:39 PDT)
Alexander Metz
- Re: [AMBER] Is per atome decomposition in MM-PBSA possible? (Thu Jun 20 2013 - 03:37:06 PDT)
Amparo Garcia Lopez
- Re: [AMBER] post-clustering calculation of DBI and pSF (Sat Jun 22 2013 - 10:46:08 PDT)
- Re: [AMBER] post-clustering calculation of DBI and pSF (Fri Jun 21 2013 - 08:18:23 PDT)
- [AMBER] post-clustering calculation of DBI and pSF (Fri Jun 21 2013 - 06:34:26 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Tue Jun 11 2013 - 05:54:08 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Sat Jun 08 2013 - 09:09:22 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Fri Jun 07 2013 - 09:58:21 PDT)
- [AMBER] unable to run minimizations after new installation of amber11 (Thu Jun 06 2013 - 11:59:25 PDT)
Anselm Horn
- Re: [AMBER] PEG (Tue Jun 18 2013 - 05:54:14 PDT)
arnab bhattacharya
- Re: [AMBER] A and Z-DNA (Wed Jun 19 2013 - 05:55:40 PDT)
- [AMBER] A and Z-DNA (Tue Jun 18 2013 - 06:34:31 PDT)
Asmita Gupta
- [AMBER] energy analysis in amber (Thu Jun 27 2013 - 23:11:08 PDT)
- Re: [AMBER] MMPBSA.py problem (Wed Jun 26 2013 - 01:43:51 PDT)
- [AMBER] MMPBSA.py problem (Tue Jun 25 2013 - 00:07:05 PDT)
- [AMBER] cpptraj grid water density (Sun Jun 16 2013 - 06:01:26 PDT)
- [AMBER] cpptraj diffusion ambertool13 (Fri Jun 07 2013 - 05:04:49 PDT)
Ayesha Fatima
- Re: [AMBER] CUDA install fails on ubuntu 12.04 using GNU compiler (Mon Jun 03 2013 - 18:02:03 PDT)
Bailey, Steven
- Re: [AMBER] PEG (Tue Jun 18 2013 - 08:25:07 PDT)
- Re: [AMBER] PEG (Tue Jun 18 2013 - 07:24:48 PDT)
- [AMBER] PEG (Tue Jun 18 2013 - 05:18:24 PDT)
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 08:49:22 PDT)
- [AMBER] prmtop (Wed Jun 12 2013 - 06:42:46 PDT)
Baogen Duan
- [AMBER] How to get correlation matrix of center of mass of partial atoms for residues? (Fri Jun 28 2013 - 23:44:28 PDT)
Benjamin Grant
- [AMBER] Running MD NPT Ensemble Error (Wed Jun 12 2013 - 14:07:58 PDT)
BERGY
- [AMBER] MMPBSA Alanine scan terminal residues (Sat Jun 08 2013 - 23:23:48 PDT)
Bill Miller III
- Re: [AMBER] mmpbsa not included in Amber11? (Thu Jun 27 2013 - 20:03:48 PDT)
- Re: [AMBER] error of PBSA calculation (Mon Jun 24 2013 - 05:11:34 PDT)
Bill Ross
- Re: [AMBER] problem with tleap (Wed Jun 19 2013 - 13:31:03 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Fri Jun 14 2013 - 16:10:57 PDT)
Brian Radak
- Re: [AMBER] How to define restraint for Umbrella sampling (Fri Jun 21 2013 - 06:45:56 PDT)
- Re: [AMBER] PM6 and PM3 (Thu Jun 06 2013 - 12:22:31 PDT)
- Re: [AMBER] PM6 and PM3 (Thu Jun 06 2013 - 11:34:11 PDT)
Carlos Simmerling
- Re: [AMBER] Can RMSF be at least 2 times larger than RMSD? (Fri Jun 14 2013 - 09:10:32 PDT)
case
- Re: [AMBER] Karplus.txt file for nucleic acid residues (Thu Jun 06 2013 - 06:09:39 PDT)
- Re: [AMBER] iron-sulfur parameterization (Wed Jun 05 2013 - 12:40:40 PDT)
Cenk $Jenk$ Andac
- Re: [AMBER] by pmemd.cuda runs (Sat Jun 01 2013 - 03:09:38 PDT)
- Re: [AMBER] by pmemd.cuda runs (Sat Jun 01 2013 - 03:08:42 PDT)
- Re: [AMBER] by pmemd.cuda runs (Sat Jun 01 2013 - 03:05:31 PDT)
Changqing Yan
- Re: [AMBER] mmpbsa not included in Amber11? (Thu Jun 27 2013 - 20:10:20 PDT)
- [AMBER] mmpbsa not included in Amber11? (Thu Jun 27 2013 - 19:55:27 PDT)
- [AMBER] error of PBSA calculation (Mon Jun 24 2013 - 01:03:45 PDT)
- [AMBER] How can I calculate the individual PBSA energies of a large set (Sun Jun 16 2013 - 17:41:01 PDT)
- Re: [AMBER] Questions about installation of Amber11 (Fri Jun 14 2013 - 19:57:08 PDT)
- [AMBER] Building CUDA-enabled Amber11 (pmemd.cuda) * (Amber 11 only) (Fri Jun 14 2013 - 02:29:18 PDT)
- [AMBER] Questions about installation of Amber11 (Fri Jun 14 2013 - 01:16:44 PDT)
- [AMBER] Questions about installing Amber 11 (Fri Jun 14 2013 - 00:03:54 PDT)
Cheng-I Lee
- Re: [AMBER] Force-field for non-native peptide containing fluoride (Wed Jun 26 2013 - 08:19:20 PDT)
- [AMBER] Force-field for non-native peptide containing fluoride (Wed Jun 26 2013 - 02:14:43 PDT)
Chinh Su Tran To
- Re: [AMBER] Error in mm_pbsa (Tue Jun 11 2013 - 20:56:09 PDT)
- Re: [AMBER] Error in mm_pbsa (Tue Jun 11 2013 - 02:09:38 PDT)
Chinthaka Ratnaweera
- Re: [AMBER] inhomogeneous solvent mixture (Sat Jun 22 2013 - 08:09:38 PDT)
- Re: [AMBER] inhomogeneous solvent mixture (Fri Jun 21 2013 - 22:52:56 PDT)
- [AMBER] inhomogeneous solvent mixture (Fri Jun 21 2013 - 21:36:01 PDT)
Chris Moth
- [AMBER] tleap has error by applying amber ff03ua (Tue Jun 18 2013 - 15:56:25 PDT)
- Re: [AMBER] selective aMD (Mon Jun 17 2013 - 08:16:50 PDT)
- [AMBER] nab in AmberTools13: documentation of newton() and getpdb_prm() sample (Tue Jun 11 2013 - 13:49:13 PDT)
Christopher Neale
- Re: [AMBER] unable to compile amberTools12 (Wed Jun 26 2013 - 18:40:05 PDT)
- [AMBER] unable to compile amberTools12 (Tue Jun 25 2013 - 12:38:44 PDT)
cieplak.cgl.ucsf.edu
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 08:33:15 PDT)
Collins Nganou
- Re: [AMBER] A and Z-DNA (Thu Jun 20 2013 - 05:10:46 PDT)
- Re: [AMBER] A and Z-DNA (Wed Jun 19 2013 - 06:10:04 PDT)
- Re: [AMBER] A and Z-DNA (Wed Jun 19 2013 - 05:51:48 PDT)
colvin
- Re: [AMBER] mmpbsa-with and without entropy (Wed Jun 26 2013 - 03:19:22 PDT)
Dan Piraner
- Re: [AMBER] Graphene topology from GAFF (Tue Jun 18 2013 - 17:05:27 PDT)
- Re: [AMBER] Graphene topology from GAFF (Tue Jun 18 2013 - 02:47:06 PDT)
Daniel Roe
- Re: [AMBER] How to get correlation matrix of center of mass of partial atoms for residues? (Sat Jun 29 2013 - 15:42:32 PDT)
- Re: [AMBER] avgcoord in AT13 (Fri Jun 28 2013 - 13:31:17 PDT)
- Re: [AMBER] Problematic PDB files (Fri Jun 28 2013 - 13:22:39 PDT)
- Re: [AMBER] Problematic PDB files (Fri Jun 28 2013 - 12:35:43 PDT)
- Re: [AMBER] Problem with PDB files in LEaP (Fri Jun 28 2013 - 09:43:31 PDT)
- Re: [AMBER] Custom topology parameter usage (Tue Jun 25 2013 - 21:37:48 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 20:35:23 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Sun Jun 23 2013 - 20:10:56 PDT)
- Re: [AMBER] inhomogeneous solvent mixture (Sat Jun 22 2013 - 09:38:44 PDT)
- Re: [AMBER] Troubles running LEaP (Fri Jun 21 2013 - 12:08:55 PDT)
- Re: [AMBER] post-clustering calculation of DBI and pSF (Fri Jun 21 2013 - 09:03:13 PDT)
- Re: [AMBER] post-clustering calculation of DBI and pSF (Fri Jun 21 2013 - 07:30:55 PDT)
- Re: [AMBER] Protein leaving periodic box (Wed Jun 19 2013 - 12:30:17 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:50:35 PDT)
- Re: [AMBER] Curious behavior of cpptraj in ambertools 13.1 (Wed Jun 19 2013 - 10:10:56 PDT)
- [AMBER] Update 10 for AmberTools 13: CPPTRAJ (Wed Jun 19 2013 - 10:03:01 PDT)
- Re: [AMBER] RADIAL ptraj vs cpptraj (Tue Jun 18 2013 - 10:50:10 PDT)
- Re: [AMBER] cpptraj: can we retrieve the minimal distance between two sets of residues? (Tue Jun 18 2013 - 08:22:14 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 09:46:00 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 09:10:44 PDT)
- Re: [AMBER] selective aMD (Sun Jun 16 2013 - 19:13:15 PDT)
- Re: [AMBER] Can RMSF be at least 2 times larger than RMSD? (Fri Jun 14 2013 - 09:34:19 PDT)
- Re: [AMBER] Step by step tutorial to using Ptraj in generating DCCM (Thu Jun 13 2013 - 08:17:27 PDT)
- Re: [AMBER] Protein leaving periodic box (Wed Jun 12 2013 - 14:33:36 PDT)
- Re: [AMBER] MMPBSA.py Error (Mon Jun 10 2013 - 08:43:24 PDT)
- Re: [AMBER] Help regarding Mn parameters (Fri Jun 07 2013 - 14:02:29 PDT)
- Re: [AMBER] cpptraj diffusion ambertool13 (Fri Jun 07 2013 - 07:42:25 PDT)
- Re: [AMBER] MMPBSA.py Error (Fri Jun 07 2013 - 07:22:24 PDT)
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Thu Jun 06 2013 - 14:26:45 PDT)
- Re: [AMBER] result of molsurf calculation (Thu Jun 06 2013 - 08:08:44 PDT)
- Re: [AMBER] errors compiling (Wed Jun 05 2013 - 11:47:25 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 14:01:40 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 13:12:14 PDT)
- Re: [AMBER] example karplus.txt file for cpptraj jcoupling command (Tue Jun 04 2013 - 12:21:41 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 11:02:34 PDT)
- Re: [AMBER] ptraj error (Mon Jun 03 2013 - 06:50:41 PDT)
- Re: [AMBER] hbond in ptraj and cpptraj (Mon Jun 03 2013 - 06:43:51 PDT)
Daniel Sindhikara
- Re: [AMBER] Any tips on setting up a cluster to run amber? (Wed Jun 05 2013 - 02:52:17 PDT)
- Re: [AMBER] search for a method name: 'targeted molecular dynamics'? (Wed Jun 05 2013 - 00:59:38 PDT)
David A Case
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Sat Jun 29 2013 - 06:08:53 PDT)
- Re: [AMBER] Problem with PDB files in LEaP (Fri Jun 28 2013 - 10:19:53 PDT)
- Re: [AMBER] MMPBSA.py problem (Wed Jun 26 2013 - 04:40:50 PDT)
- Re: [AMBER] unable to compile amberTools12 (Wed Jun 26 2013 - 04:37:40 PDT)
- Re: [AMBER] Amber updater issues (Wed Jun 26 2013 - 04:20:05 PDT)
- Re: [AMBER] Amber updater issues (Tue Jun 25 2013 - 09:29:01 PDT)
- Re: [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 07:44:09 PDT)
- Re: [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 04:49:48 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Tue Jun 25 2013 - 04:39:17 PDT)
- Re: [AMBER] What are the controls parameters for the nmode command line tool (Tue Jun 25 2013 - 04:30:03 PDT)
- Re: [AMBER] GAFF atom type for CO (Sun Jun 23 2013 - 18:28:10 PDT)
- Re: [AMBER] GAFF atom type for CO (Sat Jun 22 2013 - 09:59:22 PDT)
- Re: [AMBER] GAFF atom type for CO (Sat Jun 22 2013 - 05:48:39 PDT)
- Re: [AMBER] inhomogeneous solvent mixture (Sat Jun 22 2013 - 05:48:03 PDT)
- Re: [AMBER] Unknown redidue when using tleap (Fri Jun 21 2013 - 05:33:34 PDT)
- Re: [AMBER] GAFF atom type for CO (Thu Jun 20 2013 - 13:55:19 PDT)
- Re: [AMBER] NAB extract residue from molecule (Thu Jun 20 2013 - 08:21:45 PDT)
- Re: [AMBER] tleap has error by applying amber ff03ua (Wed Jun 19 2013 - 05:25:11 PDT)
- Re: [AMBER] D amino acids (Tue Jun 18 2013 - 08:19:58 PDT)
- Re: [AMBER] PEG (Tue Jun 18 2013 - 08:15:32 PDT)
- Re: [AMBER] A and Z-DNA (Tue Jun 18 2013 - 08:08:21 PDT)
- Re: [AMBER] PEG (Tue Jun 18 2013 - 06:56:16 PDT)
- Re: [AMBER] hydrogen bond pattern (Tue Jun 18 2013 - 06:52:11 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Tue Jun 18 2013 - 04:54:16 PDT)
- Re: [AMBER] Graphene topology from GAFF (Mon Jun 17 2013 - 17:33:00 PDT)
- Re: [AMBER] Cannot find Sander in Amber13 (Fri Jun 14 2013 - 04:44:49 PDT)
- Re: [AMBER] Building CUDA-enabled Amber11 (pmemd.cuda) * (Amber 11 only) (Fri Jun 14 2013 - 04:42:19 PDT)
- Re: [AMBER] Questions about installation of Amber11 (Fri Jun 14 2013 - 04:41:20 PDT)
- Re: [AMBER] Questions about installing Amber 11 (Fri Jun 14 2013 - 04:38:17 PDT)
- Re: [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2 (Thu Jun 13 2013 - 05:35:37 PDT)
- Re: [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2 (Thu Jun 13 2013 - 04:47:37 PDT)
- Re: [AMBER] csh problem (Wed Jun 12 2013 - 18:43:14 PDT)
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 09:53:32 PDT)
- Re: [AMBER] parameters of ions for TIP5P water box (Wed Jun 12 2013 - 04:58:32 PDT)
- Re: [AMBER] nab in AmberTools13: documentation of newton() and getpdb_prm() sample (Tue Jun 11 2013 - 18:42:38 PDT)
- Re: [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 11:53:37 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Fri Jun 07 2013 - 12:01:05 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Fri Jun 07 2013 - 09:01:05 PDT)
deeptinayar.gmail.com
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 19:44:54 PDT)
- Re: [AMBER] MMPBSA results for DNA-ligand system (Mon Jun 17 2013 - 12:21:59 PDT)
Dickson, Callum
- Re: [AMBER] Lipid11 DMPC (Fri Jun 07 2013 - 02:21:49 PDT)
Divi/GMAIL
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 11:30:28 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Fri Jun 21 2013 - 16:07:44 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 17:38:00 PDT)
Domenico Marson
- [AMBER] RADIAL ptraj vs cpptraj (Tue Jun 18 2013 - 09:42:08 PDT)
Dongshan Wei
- Re: [AMBER] Unknown redidue when using tleap (Fri Jun 21 2013 - 02:12:08 PDT)
- Re: [AMBER] Unknown redidue when using tleap (Thu Jun 13 2013 - 06:49:46 PDT)
- [AMBER] Unknown redidue when using tleap (Wed Jun 12 2013 - 18:40:42 PDT)
dpiraner.caltech.edu
- [AMBER] Graphene topology from GAFF (Mon Jun 17 2013 - 11:48:48 PDT)
Dr. Vitaly Chaban
- Re: [AMBER] counterions in md simulation (Tue Jun 11 2013 - 01:40:27 PDT)
Duggan, Brendan
- Re: [AMBER] example karplus.txt file for cpptraj jcoupling command (Tue Jun 04 2013 - 11:42:49 PDT)
Edward Pate
- [AMBER] problem with restart file in amber 11 (Thu Jun 13 2013 - 17:10:33 PDT)
eneas.usal.es
- [AMBER] Warnings in leap about lipid11 (Thu Jun 27 2013 - 08:01:54 PDT)
- [AMBER] Binding energy (Thu Jun 27 2013 - 01:26:37 PDT)
- [AMBER] Amber updater issues (Tue Jun 25 2013 - 10:25:52 PDT)
- [AMBER] Amber updater issues (Tue Jun 25 2013 - 09:58:26 PDT)
- [AMBER] MMPBSA.py error (Tue Jun 25 2013 - 09:37:33 PDT)
- [AMBER] [Re:] Amber updater issues (Tue Jun 25 2013 - 09:28:09 PDT)
- [AMBER] Amber updater issues (Tue Jun 25 2013 - 09:04:22 PDT)
Eric Berquist
- Re: [AMBER] qmcut in QM/MM simulation with AMBER/GAUSSIAN (Wed Jun 19 2013 - 07:01:52 PDT)
ET
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 13:43:59 PDT)
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 12:15:45 PDT)
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 11:20:22 PDT)
- Re: [AMBER] GTX780 News (Wed Jun 26 2013 - 19:13:41 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Wed Jun 26 2013 - 15:47:24 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Tue Jun 25 2013 - 10:56:06 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Tue Jun 25 2013 - 00:28:06 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 23:09:40 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 22:56:41 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 22:29:20 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 22:19:56 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 20:18:07 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 20:06:40 PDT)
- Re: [AMBER] Calculating Hydrophobic Interaction (Mon Jun 24 2013 - 11:51:02 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 11:48:16 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 22:36:41 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 13:26:04 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 12:45:20 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 10:40:25 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 10:10:18 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Fri Jun 21 2013 - 14:04:21 PDT)
- [AMBER] Anyone running machines with Quad GPU setups (Thu Jun 20 2013 - 17:18:59 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 12:07:12 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 11:42:42 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 09:51:27 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 07:56:37 PDT)
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Thu Jun 20 2013 - 06:33:40 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Mon Jun 17 2013 - 22:24:17 PDT)
- [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Mon Jun 17 2013 - 22:21:49 PDT)
- Re: [AMBER] print forces experienced by molecule during simulation (Fri Jun 14 2013 - 07:02:54 PDT)
- [AMBER] print forces experienced by molecule during simulation (Fri Jun 14 2013 - 05:22:53 PDT)
- Re: [AMBER] Running MD NPT Ensemble Error (Wed Jun 12 2013 - 20:24:13 PDT)
- Re: [AMBER] Running MD NPT Ensemble Error (Wed Jun 12 2013 - 20:11:08 PDT)
- Re: [AMBER] Unknown redidue when using tleap (Wed Jun 12 2013 - 19:56:29 PDT)
- Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Mon Jun 10 2013 - 07:59:48 PDT)
- Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Mon Jun 10 2013 - 06:32:26 PDT)
- Re: [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 06:12:24 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 09 2013 - 08:22:58 PDT)
- [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Sun Jun 09 2013 - 07:46:31 PDT)
- Re: [AMBER] Any tips on setting up a cluster to run amber? (Wed Jun 05 2013 - 14:32:53 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 06:25:33 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 04 2013 - 06:23:37 PDT)
- Re: [AMBER] CUDA install fails on ubuntu 12.04 using GNU compiler (Mon Jun 03 2013 - 18:17:52 PDT)
- Re: [AMBER] CUDA install fails on ubuntu 12.04 using GNU compiler (Mon Jun 03 2013 - 14:26:42 PDT)
- Re: [AMBER] CUDA install fails on ubuntu 12.04 using GNU compiler (Mon Jun 03 2013 - 14:06:18 PDT)
- [AMBER] CUDA install fails on ubuntu 12.04 using GNU compiler (Mon Jun 03 2013 - 13:49:03 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 13:18:20 PDT)
- Re: [AMBER] new AmberTools13 update has error in configure2 - needs changing (Mon Jun 03 2013 - 13:13:25 PDT)
- [AMBER] new AmberTools13 update has error in configure2 - needs changing (Mon Jun 03 2013 - 11:02:23 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 04:31:09 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 02:51:46 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 02:28:39 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 16:20:27 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 15:34:57 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 11:02:21 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 10:53:21 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:49:00 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 06:29:49 PDT)
- Re: [AMBER] Which is the best compiler to use with AMBER 12 (Sun Jun 02 2013 - 03:23:32 PDT)
- Re: [AMBER] Which is the best compiler to use with AMBER 12 (Sat Jun 01 2013 - 21:28:51 PDT)
- [AMBER] Which is the best compiler to use with AMBER 12 (Sat Jun 01 2013 - 20:47:05 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 20:29:35 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 18:45:05 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 18:30:22 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 14:42:34 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 14:12:26 PDT)
- Re: [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 13:27:18 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 13:18:34 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 11:26:16 PDT)
Fabian Glaser
- [AMBER] Cu+2 problem (Mon Jun 03 2013 - 04:40:21 PDT)
Fabrício Bracht
- Re: [AMBER] GTX780 (Wed Jun 26 2013 - 19:33:32 PDT)
- Re: [AMBER] Curious behavior of cpptraj in ambertools 13.1 (Wed Jun 19 2013 - 19:18:39 PDT)
- [AMBER] Curious behavior of cpptraj in ambertools 13.1 (Wed Jun 19 2013 - 09:49:28 PDT)
- Re: [AMBER] Experience with terachem and amber12 (Sat Jun 15 2013 - 21:49:50 PDT)
- [AMBER] Experience with terachem and amber12 (Fri Jun 14 2013 - 23:36:14 PDT)
filip fratev
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 12:58:45 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 11 2013 - 04:38:56 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 15:41:20 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 13:34:26 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 06:29:55 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 05:23:41 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 02:12:54 PDT)
francesco oteri
- Re: [AMBER] iron-sulfur parameterization (Thu Jun 06 2013 - 00:19:46 PDT)
- Re: [AMBER] iron-sulfur parameterization (Wed Jun 05 2013 - 14:18:01 PDT)
Francesco Pietra
- [AMBER] Fwd: Cu+2 problem (Mon Jun 03 2013 - 08:25:17 PDT)
- Re: [AMBER] Cu+2 problem (Mon Jun 03 2013 - 08:22:49 PDT)
Frank Thommen
- Re: [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2 (Thu Jun 13 2013 - 06:27:21 PDT)
- Re: [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2 (Thu Jun 13 2013 - 05:03:03 PDT)
- [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2 (Thu Jun 13 2013 - 01:36:43 PDT)
FyD
- Re: [AMBER] ???Re: FATAL: Atom XXX does not have a type (Sat Jun 29 2013 - 02:35:59 PDT)
- Re: [AMBER] FATAL: Atom XXX does not have a type (Fri Jun 28 2013 - 00:04:37 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Thu Jun 27 2013 - 06:48:19 PDT)
- Re: [AMBER] Fwd: Re: Graphene topology from GAFF (Wed Jun 26 2013 - 02:02:29 PDT)
- Re: [AMBER] Custom topology parameter usage (Wed Jun 26 2013 - 01:48:20 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Wed Jun 26 2013 - 01:43:06 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Tue Jun 25 2013 - 00:55:08 PDT)
- Re: [AMBER] GAFF atom type for CO (Fri Jun 21 2013 - 09:18:16 PDT)
- Re: [AMBER] Unknown redidue when using tleap (Fri Jun 21 2013 - 04:31:34 PDT)
- Re: [AMBER] problem with tleap (Fri Jun 21 2013 - 00:11:17 PDT)
- Re: [AMBER] adding Mg2+ as Counter ion for MD simulations (Fri Jun 21 2013 - 00:02:50 PDT)
- Re: [AMBER] GAFF atom type for CO (Thu Jun 20 2013 - 23:49:44 PDT)
- [AMBER] Fwd: Re: Graphene topology from GAFF (Thu Jun 20 2013 - 07:02:04 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Wed Jun 19 2013 - 01:13:12 PDT)
- Re: [AMBER] D amino acids (Tue Jun 18 2013 - 07:33:18 PDT)
- Re: [AMBER] PEG (Tue Jun 18 2013 - 05:36:28 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Tue Jun 18 2013 - 00:31:30 PDT)
- Re: [AMBER] Graphene topology from GAFF (Tue Jun 18 2013 - 00:20:52 PDT)
- Re: [AMBER] Unknown redidue when using tleap (Thu Jun 13 2013 - 00:37:22 PDT)
- Re: [AMBER] Methylated histidine lib and frcomd files (Thu Jun 06 2013 - 00:17:04 PDT)
- Re: [AMBER] LEaP & improper parameters (Wed Jun 05 2013 - 23:52:01 PDT)
- [AMBER] LEaP & improper parameters (Wed Jun 05 2013 - 00:05:37 PDT)
- Re: [AMBER] Methylated histidine lib and frcomd files (Tue Jun 04 2013 - 05:03:49 PDT)
- Re: [AMBER] Cu+2 problem (Mon Jun 03 2013 - 23:24:27 PDT)
- Re: [AMBER] Methylated histidine lib and frcomd files (Mon Jun 03 2013 - 06:52:43 PDT)
George Patargias
- Re: [AMBER] Methylated histidine lib and frcomd files (Tue Jun 04 2013 - 04:26:04 PDT)
- [AMBER] Methylated histidine lib and frcomd files (Mon Jun 03 2013 - 06:33:46 PDT)
George Tzotzos
- Re: [AMBER] Cutoff smoothing (Tue Jun 25 2013 - 09:41:41 PDT)
- [AMBER] Cutoff smoothing (Tue Jun 25 2013 - 09:17:24 PDT)
- [AMBER] Potential smoothing (Tue Jun 04 2013 - 09:48:21 PDT)
Gould, Ian R
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Thu Jun 20 2013 - 07:05:55 PDT)
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 11:35:31 PDT)
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 11:34:15 PDT)
Hai Nguyen
- Re: [AMBER] MMPBSA.py problem (Tue Jun 25 2013 - 13:28:36 PDT)
- Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Tue Jun 04 2013 - 17:26:49 PDT)
- Re: [AMBER] mmGBSA bondi/mbondi2 and force field questions (Mon Jun 03 2013 - 15:23:56 PDT)
Hailin Huang
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 14:48:42 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 13:34:43 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 12:14:29 PDT)
- Re: [AMBER] Protein leaving periodic box (Wed Jun 19 2013 - 11:28:44 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 10:43:47 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 05:33:55 PDT)
- [AMBER] Need a higher value for SKINNB (Mon Jun 17 2013 - 15:20:57 PDT)
- [AMBER] Protein leaving periodic box (Wed Jun 12 2013 - 13:56:58 PDT)
Hannes Loeffler
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Fri Jun 28 2013 - 08:13:45 PDT)
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Fri Jun 28 2013 - 01:22:29 PDT)
- Re: [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 08:29:16 PDT)
- Re: [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 05:28:09 PDT)
- [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 03:05:39 PDT)
hannes.loeffler.stfc.ac.uk
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Sun Jun 30 2013 - 01:35:57 PDT)
Haralambos Tzoupis
- [AMBER] Is per atome decomposition in MM-PBSA possible? (Thu Jun 20 2013 - 02:37:11 PDT)
Hector A. Baldoni
- Re: [AMBER] Graphene topology from GAFF (Tue Jun 18 2013 - 14:40:11 PDT)
Hongyi WU
- [AMBER] 答复: avgcoord in AT13 (Fri Jun 28 2013 - 18:50:12 PDT)
- [AMBER] 答复: avgcoord in AT13 (Fri Jun 28 2013 - 18:43:23 PDT)
- [AMBER] avgcoord in AT13 (Fri Jun 28 2013 - 12:51:19 PDT)
Hunter Brown
- [AMBER] Problem with PDB files in LEaP (Fri Jun 28 2013 - 08:09:58 PDT)
- [AMBER] Troubles running LEaP (Fri Jun 21 2013 - 11:57:39 PDT)
- [AMBER] Difficulty running sander (Wed Jun 19 2013 - 11:10:35 PDT)
- [AMBER] Thanks (Wed Jun 19 2013 - 09:07:07 PDT)
- [AMBER] Amber compile, number of files (Tue Jun 18 2013 - 10:15:25 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 09:44:16 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 07:33:19 PDT)
- [AMBER] In regards to my previous question (Fri Jun 14 2013 - 15:45:22 PDT)
- [AMBER] Difficulty compiling amber12/ambertools13 (Fri Jun 14 2013 - 15:41:11 PDT)
Ibrahim Said
- [AMBER] Fluctuation of density during equilibration phase (Fri Jun 21 2013 - 13:23:54 PDT)
Igor Marques
- Re: [AMBER] solvatebox membrane (Thu Jun 06 2013 - 02:56:06 PDT)
Indrajit Deb
- [AMBER] Karplus.txt file for nucleic acid residues (Thu Jun 06 2013 - 02:02:30 PDT)
inhee park
- [AMBER] gaff atom type (Tue Jun 18 2013 - 12:39:26 PDT)
Ismail, Mohd F.
- Re: [AMBER] Actual Intel Compiler Version Used (Fri Jun 28 2013 - 00:37:23 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Fri Jun 28 2013 - 00:34:23 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 20:32:10 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 20:30:40 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 17:28:35 PDT)
- [AMBER] Actual Intel Compiler Version Used (Sun Jun 23 2013 - 18:47:33 PDT)
Jan-Philip Gehrcke
- Re: [AMBER] Per-residue decomposition output file format looks unfriendly (Tue Jun 25 2013 - 04:22:13 PDT)
- Re: [AMBER] Actual Intel Compiler Version Used (Mon Jun 24 2013 - 02:43:03 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 10:36:25 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 10:29:18 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 08:32:39 PDT)
- Re: [AMBER] Update 10 for AmberTools 13: CPPTRAJ (Wed Jun 19 2013 - 11:06:07 PDT)
- [AMBER] cpptraj: can we retrieve the minimal distance between two sets of residues? (Tue Jun 18 2013 - 06:56:46 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 08:45:04 PDT)
- Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Mon Jun 10 2013 - 08:18:05 PDT)
- Re: [AMBER] search for a method name: 'targeted molecular dynamics'? (Wed Jun 05 2013 - 03:19:20 PDT)
- Re: [AMBER] Any tips on setting up a cluster to run amber? (Wed Jun 05 2013 - 02:55:00 PDT)
- Re: [AMBER] search for a method name: 'targeted molecular dynamics'? (Wed Jun 05 2013 - 00:16:32 PDT)
- Re: [AMBER] Which is the best compiler to use with AMBER 12 (Sun Jun 02 2013 - 02:58:26 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:04:52 PDT)
- [AMBER] search for a method name: 'targeted molecular dynamics'? (Sat Jun 01 2013 - 07:08:36 PDT)
Jason Slingsby
- [AMBER] bad atom type: N3 (In MMGBSA decomp calculations) (Wed Jun 12 2013 - 15:38:29 PDT)
Jason Swails
- Re: [AMBER] problem with MM-PBSA (Sat Jun 29 2013 - 10:32:05 PDT)
- Re: [AMBER] 答复: avgcoord in AT13 (Sat Jun 29 2013 - 07:34:36 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Sat Jun 29 2013 - 06:13:07 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 20:41:22 PDT)
- Re: [AMBER] avgcoord in AT13 (Fri Jun 28 2013 - 13:30:56 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 13:24:42 PDT)
- Re: [AMBER] energy analysis in amber (Fri Jun 28 2013 - 07:34:29 PDT)
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Fri Jun 28 2013 - 07:16:25 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 06:06:13 PDT)
- Re: [AMBER] mmpbsa not included in Amber11? (Thu Jun 27 2013 - 20:00:40 PDT)
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Thu Jun 27 2013 - 09:44:21 PDT)
- Re: [AMBER] unable to compile amberTools12 (Wed Jun 26 2013 - 05:03:57 PDT)
- Re: [AMBER] Questions about SMD using jar=1 (Tue Jun 25 2013 - 14:28:05 PDT)
- Re: [AMBER] entropy calculation starts from where it stops (Tue Jun 25 2013 - 11:59:34 PDT)
- Re: [AMBER] entropy calculation starts from where it stops (Tue Jun 25 2013 - 10:47:16 PDT)
- Re: [AMBER] MMPBSA.py error (Tue Jun 25 2013 - 10:45:48 PDT)
- Re: [AMBER] Amber updater issues (Tue Jun 25 2013 - 10:18:40 PDT)
- Re: [AMBER] MMPBSA.py error (Tue Jun 25 2013 - 09:45:18 PDT)
- Re: [AMBER] [Re:] Amber updater issues (Tue Jun 25 2013 - 09:34:35 PDT)
- Re: [AMBER] Amber updater issues (Tue Jun 25 2013 - 09:21:37 PDT)
- Re: [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 08:55:22 PDT)
- Re: [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 05:39:37 PDT)
- Re: [AMBER] PB Bomb in pb_aaradi() - missing ff12SB atom types (Tue Jun 25 2013 - 04:59:08 PDT)
- Re: [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 04:55:43 PDT)
- Re: [AMBER] Per-residue decomposition output file format looks unfriendly (Tue Jun 25 2013 - 04:52:03 PDT)
- Re: [AMBER] MMPBSA.py problem (Tue Jun 25 2013 - 04:48:45 PDT)
- Re: [AMBER] What are the controls parameters for the nmode command line tool (Tue Jun 25 2013 - 04:28:33 PDT)
- Re: [AMBER] issue in tleap (Mon Jun 24 2013 - 14:32:06 PDT)
- Re: [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Mon Jun 24 2013 - 07:31:00 PDT)
- Re: [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Mon Jun 24 2013 - 06:34:09 PDT)
- Re: [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Sat Jun 22 2013 - 08:06:25 PDT)
- Re: [AMBER] Fluctuation of density during equilibration phase (Fri Jun 21 2013 - 20:16:27 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Thu Jun 20 2013 - 11:06:13 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Thu Jun 20 2013 - 10:07:22 PDT)
- Re: [AMBER] Difficulty in reading .mdcrd file in VMD (Thu Jun 20 2013 - 04:23:58 PDT)
- Re: [AMBER] Is per atome decomposition in MM-PBSA possible? (Thu Jun 20 2013 - 03:11:55 PDT)
- Re: [AMBER] Curious behavior of cpptraj in ambertools 13.1 (Wed Jun 19 2013 - 19:45:18 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Wed Jun 19 2013 - 18:23:48 PDT)
- Re: [AMBER] Difficulty running sander (Wed Jun 19 2013 - 12:34:00 PDT)
- Re: [AMBER] Curious behavior of cpptraj in ambertools 13.1 (Wed Jun 19 2013 - 10:39:55 PDT)
- Re: [AMBER] Nonbond cells need to be recalculated, restart simulation from previous checkpoint with a higher value for skinnb. (Wed Jun 19 2013 - 03:20:53 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Wed Jun 19 2013 - 03:12:38 PDT)
- Re: [AMBER] problem with tleap (Tue Jun 18 2013 - 14:09:21 PDT)
- Re: [AMBER] Job stops due to INFO: Old style inpcrd file read (Tue Jun 18 2013 - 12:03:29 PDT)
- Re: [AMBER] Amber compile, number of files (Tue Jun 18 2013 - 11:14:38 PDT)
- Re: [AMBER] Job stops due to INFO: Old style inpcrd file read (Tue Jun 18 2013 - 09:14:14 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Mon Jun 17 2013 - 16:31:37 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 10:42:02 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 09:48:45 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Mon Jun 17 2013 - 09:48:09 PDT)
- Re: [AMBER] Experience with terachem and amber12 (Sat Jun 15 2013 - 13:59:05 PDT)
- Re: [AMBER] Is that a way to generate free energy landscapes with ptraj? (Sat Jun 15 2013 - 11:47:36 PDT)
- Re: [AMBER] Questions about installation of Amber11 (Fri Jun 14 2013 - 20:24:15 PDT)
- Re: [AMBER] Difficulty compiling amber12/ambertools13 (Fri Jun 14 2013 - 17:49:36 PDT)
- Re: [AMBER] print forces experienced by molecule during simulation (Fri Jun 14 2013 - 13:18:25 PDT)
- Re: [AMBER] Parameters for Aluminum Ion (Fri Jun 14 2013 - 08:42:25 PDT)
- Re: [AMBER] problem with parmchk and a big organic molecule (Fri Jun 14 2013 - 08:24:29 PDT)
- Re: [AMBER] print forces experienced by molecule during simulation (Fri Jun 14 2013 - 06:30:12 PDT)
- Re: [AMBER] How to make a specific non-bonded interaction off (Thu Jun 13 2013 - 20:56:40 PDT)
- Re: [AMBER] Amber to Charmm (Thu Jun 13 2013 - 18:23:00 PDT)
- Re: [AMBER] problem with restart file in amber 11 (Thu Jun 13 2013 - 18:19:26 PDT)
- Re: [AMBER] How to modify/add velocity entries in .inpcrd file? (Thu Jun 13 2013 - 16:18:32 PDT)
- Re: [AMBER] amber2accent perl script (Thu Jun 13 2013 - 13:56:18 PDT)
- Re: [AMBER] bad atom type: N3 (In MMGBSA decomp calculations) (Thu Jun 13 2013 - 10:43:07 PDT)
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 09:17:31 PDT)
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Tue Jun 11 2013 - 13:38:42 PDT)
- Re: [AMBER] how does leap-prmtop calculate residues in water (Tue Jun 11 2013 - 13:22:28 PDT)
- Re: [AMBER] Error in mm_pbsa (Tue Jun 11 2013 - 05:38:37 PDT)
- Re: [AMBER] MMPBSA Alanine scan terminal residues (Tue Jun 11 2013 - 05:34:53 PDT)
- Re: [AMBER] Problem with SMD (Mon Jun 10 2013 - 21:08:16 PDT)
- Re: [AMBER] unable to run minimizations after new installation of amber11 (Mon Jun 10 2013 - 21:00:37 PDT)
- Re: [AMBER] MMPBSA Alanine scan terminal residues (Mon Jun 10 2013 - 20:16:51 PDT)
- Re: [AMBER] Calculating harmonic potential in umbrella sampling (Mon Jun 10 2013 - 20:14:59 PDT)
- Re: [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 06:06:19 PDT)
- Re: [AMBER] How to make a specific non-bonded interaction off (Mon Jun 10 2013 - 06:00:46 PDT)
- Re: [AMBER] MMPBSA.py Error (Thu Jun 06 2013 - 08:56:40 PDT)
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Thu Jun 06 2013 - 08:51:06 PDT)
- Re: [AMBER] reference group and pulled group in umbrella sampling (Wed Jun 05 2013 - 18:57:32 PDT)
- Re: [AMBER] error energy minimization with restrain (Wed Jun 05 2013 - 12:23:19 PDT)
- Re: [AMBER] errors compiling (Wed Jun 05 2013 - 12:11:13 PDT)
- Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Wed Jun 05 2013 - 11:26:55 PDT)
- Re: [AMBER] LEaP & improper parameters (Wed Jun 05 2013 - 07:16:10 PDT)
- Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Tue Jun 04 2013 - 17:34:26 PDT)
- Re: [AMBER] new AmberTools13 update has error in configure2 - needs changing (Mon Jun 03 2013 - 19:40:58 PDT)
- Re: [AMBER] new AmberTools13 update has error in configure2 - needs changing (Mon Jun 03 2013 - 11:57:39 PDT)
- Re: [AMBER] prmtop for stripped down coordinates (Mon Jun 03 2013 - 06:18:16 PDT)
- Re: [AMBER] tleap and ff02pol.r1 (Sun Jun 02 2013 - 14:35:42 PDT)
- Re: [AMBER] reference group and pulled group in umbrella sampling (Sat Jun 01 2013 - 21:29:21 PDT)
- Re: [AMBER] Which is the best compiler to use with AMBER 12 (Sat Jun 01 2013 - 21:21:50 PDT)
- Re: [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 14:24:33 PDT)
- Re: [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 14:23:26 PDT)
Jio M
- Re: [AMBER] reference group and pulled group in umbrella sampling (Wed Jun 05 2013 - 12:51:25 PDT)
- Re: [AMBER] reference group and pulled group in umbrella sampling (Sun Jun 02 2013 - 01:42:54 PDT)
Jonathan Gough
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 26 2013 - 14:22:38 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 09:34:36 PDT)
- Re: [AMBER] how does leap-prmtop calculate residues in water (Tue Jun 11 2013 - 13:45:29 PDT)
- [AMBER] how does leap-prmtop calculate residues in water (Tue Jun 11 2013 - 13:13:05 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 15:11:48 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 14:40:53 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 14:00:23 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 12:48:36 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 07:37:03 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 03:01:35 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 15:34:39 PDT)
- Re: [AMBER] errors compiling (Wed Jun 05 2013 - 12:30:10 PDT)
- Re: [AMBER] errors compiling (Wed Jun 05 2013 - 12:03:28 PDT)
- [AMBER] errors compiling (Wed Jun 05 2013 - 11:23:54 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 04 2013 - 04:54:09 PDT)
Jose Borreguero
- Re: [AMBER] What are the controls parameters for the nmode command line tool (Tue Jun 25 2013 - 07:18:58 PDT)
- [AMBER] What are the controls parameters for the nmode command line tool (Mon Jun 24 2013 - 16:39:21 PDT)
Josh Berryman
- Re: [AMBER] MMPBSA results for DNA-ligand system (Mon Jun 17 2013 - 01:14:47 PDT)
- [AMBER] Any tips on setting up a cluster to run amber? (Wed Jun 05 2013 - 02:38:00 PDT)
Kamali Sripathi
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Thu Jun 27 2013 - 08:00:04 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Wed Jun 26 2013 - 20:07:46 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Tue Jun 25 2013 - 05:53:25 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Mon Jun 24 2013 - 20:26:34 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Mon Jun 24 2013 - 19:01:46 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Sun Jun 23 2013 - 16:10:40 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Sun Jun 23 2013 - 05:06:29 PDT)
- Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Tue Jun 18 2013 - 13:06:44 PDT)
- [AMBER] Assessing Antechamber temporary files (Mon Jun 17 2013 - 05:03:11 PDT)
- [AMBER] Antechamber atom types and all_nuc94.in atom descriptions (Sat Jun 15 2013 - 20:26:12 PDT)
Kanin Wichapong
- [AMBER] Lipid11 DMPC (Thu Jun 06 2013 - 07:56:54 PDT)
- [AMBER] solvatebox membrane (Thu Jun 06 2013 - 02:53:40 PDT)
Karl N. Kirschner
- Re: [AMBER] FATAL: Atom XXX does not have a type (Thu Jun 27 2013 - 23:28:02 PDT)
- Re: [AMBER] Force-field for non-native peptide containing fluoride (Wed Jun 26 2013 - 02:41:42 PDT)
- Re: [AMBER] GAFF atom type for CO (Fri Jun 21 2013 - 03:02:33 PDT)
- Re: [AMBER] Graphene topology from GAFF (Tue Jun 18 2013 - 01:17:45 PDT)
- Re: [AMBER] glycame06_carbohydrate_hydrogen bond pattern (Thu Jun 13 2013 - 03:57:55 PDT)
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 07:02:44 PDT)
Kepa K. Burusco
- [AMBER] TI calculations and autocorrelation time (Thu Jun 27 2013 - 07:56:48 PDT)
Kevin Hauser
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 16:40:03 PDT)
Krisztina Feher
- Re: [AMBER] GAFF atom type for CO (Sat Jun 22 2013 - 11:22:50 PDT)
- Re: [AMBER] GAFF atom type for CO (Sat Jun 22 2013 - 07:03:42 PDT)
- Re: [AMBER] GAFF atom type for CO (Fri Jun 21 2013 - 02:51:56 PDT)
- Re: [AMBER] GAFF atom type for CO (Fri Jun 21 2013 - 01:59:41 PDT)
- [AMBER] GAFF atom type for CO (Thu Jun 20 2013 - 11:16:17 PDT)
- Re: [AMBER] D amino acids (Tue Jun 18 2013 - 08:48:58 PDT)
- Re: [AMBER] D amino acids (Tue Jun 18 2013 - 08:12:47 PDT)
- [AMBER] D amino acids (Tue Jun 18 2013 - 07:11:47 PDT)
Kshatresh Dutta Dubey
- Re: [AMBER] Per-residue decomposition output file format looks unfriendly (Tue Jun 25 2013 - 04:03:52 PDT)
kurisaki
- Re: [AMBER] How to make a specific non-bonded interaction off (Thu Jun 13 2013 - 22:01:51 PDT)
- Re: [AMBER] How to make a specific non-bonded interaction off (Thu Jun 13 2013 - 20:21:12 PDT)
- Re: [AMBER] How to make a specific non-bonded interaction off (Mon Jun 10 2013 - 06:33:01 PDT)
- Re: [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 06:20:20 PDT)
- [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 05:15:04 PDT)
- [AMBER] How to make a specific non-bonded interaction off (Mon Jun 10 2013 - 03:22:53 PDT)
Le,Huy Tuan
- [AMBER] NAB extract residue from molecule (Wed Jun 19 2013 - 11:31:12 PDT)
live
- Re: [AMBER] tleap and ff02pol.r1 (Mon Jun 03 2013 - 05:15:21 PDT)
- [AMBER] tleap and ff02pol.r1 (Sun Jun 02 2013 - 09:59:21 PDT)
M Elkot
- Re: [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Mon Jun 24 2013 - 07:48:28 PDT)
- [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Sat Jun 22 2013 - 07:36:53 PDT)
Mahmoud Soliman
- Re: [AMBER] Per-residue decomposition output file format looks unfriendly (Tue Jun 25 2013 - 05:00:10 PDT)
- [AMBER] Per-residue decomposition output file format looks unfriendly (Tue Jun 25 2013 - 01:53:51 PDT)
Mallipeddi, Premalatha
- [AMBER] Help regarding Mn parameters (Fri Jun 07 2013 - 11:07:30 PDT)
Manikanthan Bhavaraju
- [AMBER] Access to Quanta or CHARMM software (Wed Jun 19 2013 - 12:33:13 PDT)
- [AMBER] Amber to Charmm (Thu Jun 13 2013 - 17:42:53 PDT)
- Re: [AMBER] amber2accent perl script (Thu Jun 13 2013 - 14:03:38 PDT)
- [AMBER] amber2accent perl script (Thu Jun 13 2013 - 10:59:09 PDT)
Marc van der Kamp
- Re: [AMBER] How to define restraint for Umbrella sampling (Fri Jun 21 2013 - 08:28:54 PDT)
- Re: [AMBER] counterions in md simulation (Tue Jun 11 2013 - 01:42:44 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Wed Jun 05 2013 - 14:19:40 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 13:10:55 PDT)
- Re: [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 11:38:30 PDT)
- [AMBER] surf in cpptraj doesn't support 'stripped' trajectories? (Tue Jun 04 2013 - 09:32:18 PDT)
- Re: [AMBER] prmtop for stripped down coordinates (Mon Jun 03 2013 - 05:45:57 PDT)
Marcus Arieno
- Re: [AMBER] result of molsurf calculation (Thu Jun 06 2013 - 08:05:05 PDT)
Marek Maly
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 11:05:00 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 09:57:09 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 09:03:04 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 06:58:00 PDT)
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 12:14:29 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 11:08:08 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:55:46 PDT)
- [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 10:35:58 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:17:50 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:00:59 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 09:55:32 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 08:20:15 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 12 2013 - 11:16:46 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 11 2013 - 03:23:29 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 14:16:47 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 07:29:03 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 07:27:28 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 03:40:55 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 15:45:13 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 10:29:36 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 06:18:00 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 03:33:07 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 04 2013 - 15:20:35 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 04 2013 - 04:39:57 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 21:14:28 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 12:31:03 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 11:47:36 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 09:42:24 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 04:21:43 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 03:34:15 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 03:31:08 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 16:57:36 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 10:37:15 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 10:22:54 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:44:23 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 07:58:38 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 16:49:47 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 16:35:20 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 16:30:43 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 15:41:13 PDT)
- Re: [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 14:19:47 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 14:13:07 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 13:32:15 PDT)
- Re: [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 13:26:32 PDT)
- [AMBER] To all K20 - K20x "positive" Amber users (Sat Jun 01 2013 - 13:22:21 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:34:17 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:26:42 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:09:46 PDT)
- [AMBER] Amber 12 bugfix 18 ? (Sat Jun 01 2013 - 11:22:53 PDT)
Mary Varughese
- Re: [AMBER] counterions in md simulation (Tue Jun 11 2013 - 02:03:13 PDT)
- [AMBER] counterions in md simulation (Tue Jun 11 2013 - 01:27:45 PDT)
Maryam Hamzehee
- [AMBER] problem with MM-PBSA (Sat Jun 29 2013 - 08:27:49 PDT)
Matthew Wampole
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Fri Jun 14 2013 - 07:39:32 PDT)
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Tue Jun 11 2013 - 13:25:17 PDT)
- Re: [AMBER] CUDA install fails due to undefined netcdf definitions (Thu Jun 06 2013 - 14:12:10 PDT)
- [AMBER] CUDA install fails due to undefined netcdf definitions (Thu Jun 06 2013 - 08:28:29 PDT)
Matthias Bohner
- Re: [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 05:56:53 PDT)
- Re: [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 05:54:08 PDT)
- [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools (Tue Jun 25 2013 - 00:40:37 PDT)
me, Nancy
- Re: [AMBER] PM6 and PM3 (Thu Jun 06 2013 - 14:23:42 PDT)
- Re: [AMBER] PM6 and PM3 (Thu Jun 06 2013 - 11:55:25 PDT)
- [AMBER] PM6 and PM3 (Thu Jun 06 2013 - 11:11:01 PDT)
Michael Lerner
- Re: [AMBER] Provisional GTX780 Numbers (Wed Jun 26 2013 - 13:04:45 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Wed Jun 26 2013 - 12:38:05 PDT)
Michelle Mukonyora
- Re: [AMBER] Cannot find Sander in Amber13 (Fri Jun 14 2013 - 04:47:33 PDT)
- [AMBER] Cannot find Sander in Amber13 (Fri Jun 14 2013 - 03:06:15 PDT)
mmaestre.gate.sinica.edu.tw
- Re: [AMBER] Cupper cluster parametrization with MCPB (Wed Jun 26 2013 - 19:41:11 PDT)
- [AMBER] Cupper cluster parametrization with MCPB (Wed Jun 26 2013 - 18:42:25 PDT)
moitrayee.mbu.iisc.ernet.in
- Re: [AMBER] Questions about SMD using jar=1 (Tue Jun 25 2013 - 18:11:33 PDT)
- [AMBER] Questions about SMD using jar=1 (Tue Jun 25 2013 - 12:23:24 PDT)
- [AMBER] Questions about ncsu_smd in Amber12 (Mon Jun 24 2013 - 20:51:34 PDT)
- [AMBER] Problem with SMD (Sun Jun 09 2013 - 02:06:55 PDT)
Nakashima, Yoshihisa
- Re: [AMBER] Cellulose NVE with pmemd.cuda.MPI (Wed Jun 19 2013 - 19:28:01 PDT)
- [AMBER] Cellulose NVE with pmemd.cuda.MPI (Mon Jun 17 2013 - 23:19:50 PDT)
Niel Henriksen
- Re: [AMBER] How to avoid tleap error *** Error: tl_getline(): not interactive, use stdio. (Mon Jun 10 2013 - 12:13:22 PDT)
onetwo
- [AMBER] error in running MMPBSA.MPI (Sun Jun 30 2013 - 07:50:28 PDT)
Parker de Waal
- [AMBER] Custom topology parameter usage (Tue Jun 25 2013 - 21:18:39 PDT)
parul sharma
- [AMBER] ptraj error (Mon Jun 03 2013 - 04:14:13 PDT)
Paul Driscoll
- Re: [AMBER] prmtop for stripped down coordinates (Mon Jun 03 2013 - 06:34:36 PDT)
- [AMBER] prmtop for stripped down coordinates (Mon Jun 03 2013 - 05:38:17 PDT)
pmaj.nencki.gov.pl
- Re: [AMBER] hbond in ptraj and cpptraj (Mon Jun 03 2013 - 05:19:39 PDT)
- Re: [AMBER] hbond in ptraj and cpptraj (Mon Jun 03 2013 - 03:12:06 PDT)
Pranjal Mahanta
- [AMBER] adding Mg2+ as Counter ion for MD simulations (Thu Jun 20 2013 - 11:34:30 PDT)
psu4.uic.edu
- [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Thu Jun 27 2013 - 09:02:42 PDT)
- Re: [AMBER] entropy calculation starts from where it stops (Tue Jun 25 2013 - 13:00:23 PDT)
- Re: [AMBER] entropy calculation starts from where it stops (Tue Jun 25 2013 - 11:09:57 PDT)
- [AMBER] entropy calculation starts from where it stops (Tue Jun 25 2013 - 10:34:15 PDT)
- Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Fri Jun 07 2013 - 17:14:13 PDT)
- Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Wed Jun 05 2013 - 11:03:04 PDT)
- [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top! (Tue Jun 04 2013 - 14:44:48 PDT)
- [AMBER] mmGBSA bondi/mbondi2 and force field questions (Mon Jun 03 2013 - 09:42:26 PDT)
Rasha Alqus
- [AMBER] hydrogen bond pattern (Tue Jun 18 2013 - 04:51:31 PDT)
- [AMBER] glycame06_carbohydrate_hydrogen bond pattern (Thu Jun 13 2013 - 02:26:22 PDT)
- [AMBER] error energy minimization with restrain (Wed Jun 05 2013 - 11:59:22 PDT)
- [AMBER] enegy minimization with restrain (Tue Jun 04 2013 - 03:01:32 PDT)
Ravi Tripathi
- [AMBER] Calculating Hydrophobic Interaction (Fri Jun 21 2013 - 05:31:24 PDT)
Ray Luo, Ph.D.
- Re: [AMBER] Is there any major change of MMPBSA.py in AmberTools 13? (Fri Jun 28 2013 - 10:47:53 PDT)
Rejwan
- [AMBER] issue in tleap (Mon Jun 24 2013 - 14:25:27 PDT)
- [AMBER] membrane-protein simulation with AMBER lipid11 FF (Fri Jun 21 2013 - 09:30:24 PDT)
- Re: [AMBER] problem with tleap (Wed Jun 19 2013 - 08:06:05 PDT)
- Re: [AMBER] problem with tleap (Tue Jun 18 2013 - 18:46:29 PDT)
- [AMBER] problem with tleap (Tue Jun 18 2013 - 13:06:45 PDT)
Robert Konecny
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 11:12:02 PDT)
Romelia Salomon
- Re: [AMBER] selective aMD (Tue Jun 18 2013 - 11:07:40 PDT)
ros
- Re: [AMBER] Cu+2 problem (Mon Jun 03 2013 - 07:51:06 PDT)
Ross Walker
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 11:43:34 PDT)
- Re: [AMBER] GTX780 (Wed Jun 26 2013 - 20:19:01 PDT)
- [AMBER] GTX780 News (Wed Jun 26 2013 - 16:31:26 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 26 2013 - 16:02:48 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Wed Jun 26 2013 - 12:56:28 PDT)
- Re: [AMBER] Provisional GTX780 Numbers (Tue Jun 25 2013 - 09:26:14 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 22:36:19 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Mon Jun 24 2013 - 16:58:57 PDT)
- [AMBER] Provisional GTX780 Numbers (Mon Jun 24 2013 - 14:23:02 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sun Jun 23 2013 - 17:21:25 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 13:12:26 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 10:36:25 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 09:37:06 PDT)
- Re: [AMBER] receiving amber digest not separate subject wise as earlier (Thu Jun 20 2013 - 09:32:41 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 07:58:28 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 19:25:07 PDT)
- Re: [AMBER] Cellulose NVE with pmemd.cuda.MPI (Wed Jun 19 2013 - 05:19:12 PDT)
- Re: [AMBER] ntt=2 on gpu (Wed Jun 12 2013 - 11:01:21 PDT)
- Re: [AMBER] ntt=2 on gpu (Mon Jun 10 2013 - 07:12:36 PDT)
- Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Mon Jun 10 2013 - 07:10:31 PDT)
- Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly? (Sun Jun 09 2013 - 10:02:12 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 12:17:23 PDT)
- Re: [AMBER] Which is the best compiler to use with AMBER 12 (Sat Jun 01 2013 - 22:05:51 PDT)
Sajeewa Pemasinghe
- Re: [AMBER] Calculating harmonic potential in umbrella sampling (Mon Jun 10 2013 - 21:11:15 PDT)
- [AMBER] Calculating harmonic potential in umbrella sampling (Mon Jun 10 2013 - 11:25:31 PDT)
Sarah Graham
- Re: [AMBER] prmtop (Wed Jun 12 2013 - 09:04:06 PDT)
- Re: [AMBER] ntt=2 on gpu (Mon Jun 10 2013 - 11:34:53 PDT)
- [AMBER] ntt=2 on gpu (Mon Jun 10 2013 - 05:26:21 PDT)
- [AMBER] ntt=2 on gpu (Thu Jun 06 2013 - 12:36:34 PDT)
- [AMBER] using ntt=2 on gpu (Thu Jun 06 2013 - 08:43:29 PDT)
Scott Le Grand
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 11:36:33 PDT)
- Re: [AMBER] GTX780 News (Thu Jun 27 2013 - 10:50:02 PDT)
- Re: [AMBER] GTX780 News (Wed Jun 26 2013 - 17:47:32 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 26 2013 - 15:12:54 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 13:31:48 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 11:31:27 PDT)
- Re: [AMBER] Anyone running machines with Quad GPU setups (Sat Jun 22 2013 - 08:15:08 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Fri Jun 21 2013 - 10:31:41 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Thu Jun 20 2013 - 12:02:23 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 10:26:58 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 09:57:18 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 20 2013 - 08:25:05 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 15:08:36 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 14:23:54 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 13:03:39 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 11:59:02 PDT)
- Re: [AMBER] Experiences with GTX 780 in the framework of Amber calculations ? (Wed Jun 19 2013 - 11:39:09 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 11:33:58 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 11:29:50 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:23:31 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:21:53 PDT)
- Re: [AMBER] Need a higher value for SKINNB (Wed Jun 19 2013 - 10:16:02 PDT)
- Re: [AMBER] ERROR: GPU runs fail with nfft Error only when running 2x geforce TITANS in same machine (Wed Jun 19 2013 - 10:15:34 PDT)
- Re: [AMBER] Cellulose NVE with pmemd.cuda.MPI (Wed Jun 19 2013 - 10:07:31 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 10:03:18 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 19 2013 - 08:50:51 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 12 2013 - 10:07:49 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 10 2013 - 21:31:37 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 15:50:05 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 15:05:43 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 14:32:57 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 13:46:42 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Fri Jun 07 2013 - 13:45:50 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Thu Jun 06 2013 - 07:23:30 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Wed Jun 05 2013 - 09:15:48 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Tue Jun 04 2013 - 13:36:00 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 19:51:08 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Mon Jun 03 2013 - 11:12:04 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 12:49:41 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 10:15:23 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:57:08 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:42:31 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:33:52 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:31:17 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sun Jun 02 2013 - 09:07:14 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 22:45:53 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 19:36:32 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 16:38:34 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 16:25:44 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 15:28:45 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:48:06 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:20:49 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 12:16:29 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 11:48:12 PDT)
- Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ? (Sat Jun 01 2013 - 11:46:29 PDT)
Senthil Natesan
- Re: [AMBER] MMPBSA.py Error (Mon Jun 10 2013 - 06:18:01 PDT)
- Re: [AMBER] MMPBSA.py Error (Fri Jun 07 2013 - 06:06:04 PDT)
- [AMBER] MMPBSA.py Error (Thu Jun 06 2013 - 08:46:12 PDT)
Sergio R Aragon
- Re: [AMBER] iron-sulfur parameterization (Wed Jun 05 2013 - 15:08:48 PDT)
- Re: [AMBER] iron-sulfur parameterization (Wed Jun 05 2013 - 13:16:17 PDT)
setyanto md
- [AMBER] result of molsurf calculation (Thu Jun 06 2013 - 07:36:10 PDT)
Sindrila Dutta banik
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Sat Jun 29 2013 - 19:32:19 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 22:52:09 PDT)
- [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 19:19:44 PDT)
- Re: [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 12:35:46 PDT)
- [AMBER] How to define reaction coordinate in Umbrella sampeling (Fri Jun 28 2013 - 00:42:08 PDT)
- [AMBER] How to define restraint for Umbrella sampling (Fri Jun 21 2013 - 00:46:17 PDT)
Sorensen, Jesper
- Re: [AMBER] MMPBSA.py and cpptraj error (Thu Jun 20 2013 - 10:56:48 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Thu Jun 20 2013 - 09:43:59 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Wed Jun 19 2013 - 16:08:33 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Tue Jun 18 2013 - 19:37:46 PDT)
- Re: [AMBER] MMPBSA.py and cpptraj error (Tue Jun 18 2013 - 19:12:23 PDT)
- [AMBER] MMPBSA.py and cpptraj error (Mon Jun 17 2013 - 20:35:08 PDT)
- Re: [AMBER] MMPBSA results for DNA-ligand system (Mon Jun 17 2013 - 07:32:38 PDT)
- [AMBER] MMPBSA results for DNA-ligand system (Sun Jun 16 2013 - 22:33:48 PDT)
steinbrt.rci.rutgers.edu
- Re: [AMBER] TI calculations and autocorrelation time (Thu Jun 27 2013 - 10:18:14 PDT)
- Re: [AMBER] Binding energy (Thu Jun 27 2013 - 02:34:27 PDT)
- Re: [AMBER] Cannot find Sander in Amber13 (Fri Jun 14 2013 - 04:06:32 PDT)
sunita gupta
- [AMBER] Unfolding a protein using Accelerated Molecular Dynamics (Sat Jun 01 2013 - 04:11:51 PDT)
sunyeping.aliyun.com
- [AMBER] 回复：Re: FATAL: Atom XXX does not have a type (Fri Jun 28 2013 - 09:05:16 PDT)
- [AMBER] FATAL: Atom XXX does not have a type (Thu Jun 27 2013 - 11:58:16 PDT)
Sushil Mishra
- Re: [AMBER] ptraj error (Mon Jun 03 2013 - 05:39:36 PDT)
Takato Sato
- [AMBER] What bugfix.18 actually does to correct the problem in NPT simulations on GPU? (Mon Jun 17 2013 - 01:54:00 PDT)
Tamara Meirelles
- [AMBER] qmcut in QM/MM simulation with AMBER/GAUSSIAN (Mon Jun 17 2013 - 17:39:00 PDT)
tec3.utah.edu
- Re: [AMBER] Cutoff smoothing (Tue Jun 25 2013 - 09:31:21 PDT)
- Re: [AMBER] parameters of ions for TIP5P water box (Tue Jun 11 2013 - 14:29:42 PDT)
Thomas Cheatham
- Re: [AMBER] post-clustering calculation of DBI and pSF (Fri Jun 21 2013 - 09:25:49 PDT)
Thomas Evangelidis
- [AMBER] selective aMD (Sun Jun 16 2013 - 09:43:30 PDT)
Vaibhav Dixit
- Re: [AMBER] MMPBSA per-residue stuck forever without output even for 3 frames only (Mon Jun 24 2013 - 05:46:47 PDT)
- Re: [AMBER] receiving amber digest not separate subject wise as earlier (Fri Jun 21 2013 - 00:33:50 PDT)
- [AMBER] receiving amber digest not separate subject wise as earlier (Thu Jun 20 2013 - 01:15:07 PDT)
venkatesh s
- [AMBER] iron-sulfur parameterization (Wed Jun 05 2013 - 11:52:59 PDT)
Vlad Cojocaru
- Re: [AMBER] A and Z-DNA (Wed Jun 19 2013 - 15:49:54 PDT)
Wei Lin
- [AMBER] "vlimit exceeded for step" for constant surface tension simulation (Thu Jun 20 2013 - 18:09:32 PDT)
Xioling Chuang
- Re: [AMBER] parameters of ions for TIP5P water box (Wed Jun 12 2013 - 18:49:33 PDT)
- Re: [AMBER] parameters of ions for TIP5P water box (Tue Jun 11 2013 - 20:21:58 PDT)
- [AMBER] parameters of ions for TIP5P water box (Tue Jun 11 2013 - 03:54:57 PDT)
Yan Duan
- [AMBER] Difficulty in reading .mdcrd file in VMD (Mon Jun 17 2013 - 16:07:31 PDT)
- [AMBER] How to modify/add velocity entries in .inpcrd file? (Thu Jun 13 2013 - 15:56:52 PDT)
Yip Yew Mun
- [AMBER] Is that a way to generate free energy landscapes with ptraj? (Sat Jun 15 2013 - 06:29:38 PDT)
- Re: [AMBER] Step by step tutorial to using Ptraj in generating DCCM (Sat Jun 15 2013 - 06:27:13 PDT)
- Re: [AMBER] Can RMSF be at least 2 times larger than RMSD? (Sat Jun 15 2013 - 06:26:02 PDT)
- [AMBER] Can RMSF be at least 2 times larger than RMSD? (Fri Jun 14 2013 - 08:57:07 PDT)
Åge Aleksander Skjevik
- Re: [AMBER] Warnings in leap about lipid11 (Thu Jun 27 2013 - 14:55:03 PDT)
徐俊
- [AMBER] help (Fri Jun 14 2013 - 03:56:57 PDT)
涂志萍
- [AMBER] Nonbond cells need to be recalculated, restart simulation from previous checkpoint with a higher value for skinnb. (Wed Jun 19 2013 - 02:35:01 PDT)

Amber Archive Jun 2013 by author