Amber Archive Aug 2017: by author

ABEL Stephane
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 07:51:13 PDT)
- Re: [AMBER] A restrain mask for membrane protein simulation (Fri Aug 18 2017 - 07:31:24 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 07:28:23 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 03:30:45 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Thu Aug 17 2017 - 04:16:30 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Wed Aug 16 2017 - 11:07:34 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Wed Aug 16 2017 - 09:18:54 PDT)
Adrian Roitberg
- Re: [AMBER] Deprotonation of Tyr (Fri Aug 18 2017 - 08:38:10 PDT)
- Re: [AMBER] Can pmemd.cuda.MPI do SMD on GPUs? (Wed Aug 16 2017 - 14:55:10 PDT)
- Re: [AMBER] Amber TI accuracy (Tue Aug 15 2017 - 08:42:38 PDT)
- Re: [AMBER] Units in dist_vs_t file from SMD simulation (Tue Aug 15 2017 - 08:22:52 PDT)
Aishwarya Venkatramani
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Mon Aug 07 2017 - 11:41:23 PDT)
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Fri Aug 04 2017 - 05:47:34 PDT)
- [AMBER] Using polarizable force field ff02 in AMBER 14 (Thu Aug 03 2017 - 20:15:17 PDT)
- [AMBER] Using polarizable force field ff02 in AMBER 14 (Thu Aug 03 2017 - 17:00:00 PDT)
Albert
- [AMBER] QM/MM calculation in Amber (Fri Aug 04 2017 - 23:39:52 PDT)
- [AMBER] different crd format? (Thu Aug 03 2017 - 00:46:25 PDT)
- [AMBER] pbc box information missing (Wed Aug 02 2017 - 13:13:44 PDT)
Alessandro Contini
- Re: [AMBER] Regarding GPU card (Thu Aug 24 2017 - 07:41:11 PDT)
Alonso Martinez, Diego
- Re: [AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files (Tue Aug 01 2017 - 09:49:42 PDT)
- Re: [AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files (Tue Aug 01 2017 - 07:48:34 PDT)
Amani Eshtiwi
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 19:32:43 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 19:11:18 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 19:04:12 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 16:44:18 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 16:26:55 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 15:46:46 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 15:37:35 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Thu Aug 17 2017 - 13:20:17 PDT)
- [AMBER] Amber16/DFTB and bromine (Thu Aug 17 2017 - 12:32:01 PDT)
- [AMBER] QM/MM calculation Amber16/DFTB (Thu Aug 10 2017 - 17:38:48 PDT)
Amy Rice
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Thu Aug 31 2017 - 08:23:31 PDT)
Andrew Schaub
- Re: [AMBER] parametrization of an RNA base (Sat Aug 05 2017 - 00:47:50 PDT)
- Re: [AMBER] Parameters for HEME-CYS covalent bond (Sat Aug 05 2017 - 00:43:18 PDT)
Andrew.Warden.csiro.au
- [AMBER] Discrepancies in MMPBSA calculations for the same trajectory (Thu Aug 24 2017 - 21:42:06 PDT)
Anne Nierobisch
- [AMBER] Use of param.Frosst parameters to prepare a ligand in Ambertools? (Wed Aug 09 2017 - 06:57:57 PDT)
Anthony Cruz-Balberdy
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Mon Aug 07 2017 - 12:41:04 PDT)
Arpita Goswami
- [AMBER] How to cross-corrlation matrix betwern 3 Calpha atom (Tue Aug 15 2017 - 22:34:37 PDT)
Artur Przydacz
- Re: [AMBER] adQMMM overheating (Wed Aug 09 2017 - 05:28:39 PDT)
- [AMBER] adQMMM overheating (Tue Aug 08 2017 - 14:03:40 PDT)
Aseel Bala
- [AMBER] Cpptraj to center molecules (Fri Aug 11 2017 - 12:36:06 PDT)
Aseel Bala Ahmed
- Re: [AMBER] Cpptraj to center molecules (Sun Aug 13 2017 - 13:27:22 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 14:38:56 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 13:13:49 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 12:55:32 PDT)
Ashok Kumar
- [AMBER] Creation of coordinate and topology file for protei-ligand complex (Mon Aug 28 2017 - 09:03:00 PDT)
Asmita Gupta
- [AMBER] fixing backbone dihedral angles in RNA structure (Thu Aug 10 2017 - 17:58:58 PDT)
Avijit Rakshit
- Re: [AMBER] Parameters for HEME-CYS covalent bond (Sat Aug 05 2017 - 00:56:42 PDT)
- [AMBER] Parameters for HEME-CYS covalent bond (Sat Aug 05 2017 - 00:29:21 PDT)
Baig abdullah Al muhit
- [AMBER] Error in hbond lifetime analysis (Tue Aug 08 2017 - 13:17:41 PDT)
Bill Ross
- Re: [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file. (Thu Aug 31 2017 - 12:50:42 PDT)
- Re: [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file. (Thu Aug 31 2017 - 10:02:55 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:43:17 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:41:50 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:30:58 PDT)
- Re: [AMBER] For restraint heating (Tue Aug 29 2017 - 07:13:34 PDT)
- Re: [AMBER] problem in minimization and heating (Tue Aug 29 2017 - 00:50:46 PDT)
- Re: [AMBER] Creation of coordinate and topology file for protei-ligand complex (Mon Aug 28 2017 - 09:08:38 PDT)
- Re: [AMBER] Creation of coordinate and topology file for protei-ligand complex (Mon Aug 28 2017 - 09:06:28 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Mon Aug 28 2017 - 01:44:35 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 23:16:21 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 15:38:45 PDT)
- Re: [AMBER] LINMIN Error while minimizing (Fri Aug 25 2017 - 09:58:51 PDT)
- Re: [AMBER] LINMIN Error while minimizing (Thu Aug 24 2017 - 23:10:23 PDT)
- Re: [AMBER] Problem with tleap (non atom type) (Fri Aug 18 2017 - 13:48:09 PDT)
- Re: [AMBER] Problem with tleap (non atom type) (Fri Aug 18 2017 - 10:20:39 PDT)
- Re: [AMBER] Impose bond lengths (Fri Aug 18 2017 - 10:18:30 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 13:22:38 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 13:09:27 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 13:04:17 PDT)
- Re: [AMBER] fixing backbone dihedral angles in RNA structure (Thu Aug 10 2017 - 18:08:23 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Wed Aug 09 2017 - 04:03:29 PDT)
- Re: [AMBER] parametrization of an RNA base (Fri Aug 04 2017 - 15:29:03 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Fri Aug 04 2017 - 12:00:01 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Wed Aug 02 2017 - 21:31:28 PDT)
- Re: [AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files (Tue Aug 01 2017 - 11:23:02 PDT)
Carlos Simmerling
- Re: [AMBER] angle of domain movement calculation (Wed Aug 23 2017 - 08:58:53 PDT)
- Re: [AMBER] calculate PMF in string methods (Fri Aug 18 2017 - 12:40:19 PDT)
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Fri Aug 04 2017 - 05:40:05 PDT)
- Re: [AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files (Tue Aug 01 2017 - 07:54:17 PDT)
carmine marco morgillo
- [AMBER] Calculate lateral self-diffusion coefficient for POPE embedded protein system (Wed Aug 30 2017 - 15:51:20 PDT)
- [AMBER] Analyzing the aMD results - Tutorial 22 (Sat Aug 19 2017 - 08:51:37 PDT)
Charles Mariasoosai
- [AMBER] QMMM error: "| Flags: getting box info from netcdf restart file" (Thu Aug 10 2017 - 09:20:24 PDT)
Chayya Bhargac
- Re: [AMBER] LINMIN Error while minimizing (Fri Aug 25 2017 - 08:19:38 PDT)
- [AMBER] LINMIN Error while minimizing (Thu Aug 24 2017 - 23:05:10 PDT)
- [AMBER] Error in leap on using divalent ion (Wed Aug 09 2017 - 06:23:42 PDT)
chemist zobia
- [AMBER] how to implement GEN keyword in QM/MM with external program (Wed Aug 16 2017 - 22:31:16 PDT)
Christopher Gorman
- [AMBER] RDF for dendrimer (Fri Aug 04 2017 - 14:18:33 PDT)
Chunli Yan
- [AMBER] RMSD colvar (Thu Aug 24 2017 - 12:57:01 PDT)
- Re: [AMBER] calculate PMF in string methods (Fri Aug 18 2017 - 14:43:41 PDT)
- Re: [AMBER] calculate PMF in string methods (Thu Aug 17 2017 - 19:25:57 PDT)
- Re: [AMBER] calculate PMF in string methods (Thu Aug 17 2017 - 19:22:45 PDT)
- [AMBER] calculate PMF in string methods (Wed Aug 16 2017 - 16:42:03 PDT)
- Re: [AMBER] results for string methods (Tue Aug 08 2017 - 10:33:36 PDT)
- [AMBER] results for string methods (Mon Aug 07 2017 - 18:49:45 PDT)
- Re: [AMBER] -rem flags in string method with swarms of trajectories amber (Wed Aug 02 2017 - 19:02:31 PDT)
- [AMBER] -rem flags in string method with swarms of trajectories amber (Wed Aug 02 2017 - 14:49:22 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 17:32:58 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 13:58:10 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 13:07:35 PDT)
- [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 12:00:33 PDT)
Daniel Roe
- Re: [AMBER] convert .mae topology to .prmtop topology? (Thu Aug 31 2017 - 06:15:31 PDT)
- Re: [AMBER] Calculate lateral self-diffusion coefficient for POPE embedded protein system (Thu Aug 31 2017 - 06:03:18 PDT)
- Re: [AMBER] Calculation the Area per lipids using cpptraj (Tue Aug 29 2017 - 12:35:33 PDT)
- Re: [AMBER] Distance Restraint using COM for Umbrella Sampling (Tue Aug 29 2017 - 12:29:06 PDT)
- Re: [AMBER] Closest velocities (Tue Aug 29 2017 - 12:26:03 PDT)
- Re: [AMBER] How to put the restrain on just part of the system. (Mon Aug 28 2017 - 05:42:13 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Mon Aug 28 2017 - 05:39:36 PDT)
- Re: [AMBER] Closest velocities (Thu Aug 24 2017 - 13:00:49 PDT)
- Re: [AMBER] Calculation the Area per lipids using cpptraj (Mon Aug 21 2017 - 06:28:04 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 07:13:37 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 06:09:12 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 05:15:09 PDT)
- Re: [AMBER] SASA energy (Wed Aug 16 2017 - 11:51:02 PDT)
- Re: [AMBER] SASA energy (Wed Aug 16 2017 - 11:39:26 PDT)
- Re: [AMBER] grid command in cpptraj (Wed Aug 16 2017 - 07:56:10 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sat Aug 12 2017 - 10:50:17 PDT)
- Re: [AMBER] fixing backbone dihedral angles in RNA structure (Fri Aug 11 2017 - 10:08:09 PDT)
- Re: [AMBER] Error-Calculating distance between two atoms in CPPTRAJ (Fri Aug 11 2017 - 10:03:44 PDT)
- Re: [AMBER] Error-Calculating distance between two atoms in CPPTRAJ (Fri Aug 11 2017 - 09:52:39 PDT)
- Re: [AMBER] Error in hbond lifetime analysis (Thu Aug 10 2017 - 12:29:17 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Mon Aug 07 2017 - 09:29:37 PDT)
- Re: [AMBER] How best to build a solvent box for a solute with changing dimensions? (Mon Aug 07 2017 - 09:26:13 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Mon Aug 07 2017 - 09:13:32 PDT)
- Re: [AMBER] RDF for dendrimer (Mon Aug 07 2017 - 08:56:16 PDT)
- Re: [AMBER] Building of beta strand (Mon Aug 07 2017 - 07:28:37 PDT)
- Re: [AMBER] different crd format? (Mon Aug 07 2017 - 07:25:42 PDT)
- Re: [AMBER] Compilation of Amber 14 (Fri Aug 04 2017 - 11:24:34 PDT)
- Re: [AMBER] If I use source leaprc.gaff command for DNA and protein is it load gaff forcefield or ff14SB force field?? (Tue Aug 01 2017 - 05:13:12 PDT)
David A Case
- Re: [AMBER] problem in minimization and heating (Tue Aug 29 2017 - 04:53:28 PDT)
- Re: [AMBER] Creation of coordinate and topology file for protei-ligand complex (Mon Aug 28 2017 - 10:42:34 PDT)
- Re: [AMBER] Segmentation error in minimization (Mon Aug 28 2017 - 08:03:23 PDT)
- Re: [AMBER] Hybridization problem in Amber (Sun Aug 27 2017 - 14:08:55 PDT)
- Re: [AMBER] Fw: Ambermd Error: an illegal memory access was encountered launching kernel kClearForces (Sun Aug 27 2017 - 13:49:16 PDT)
- Re: [AMBER] How to put the restrain on just part of the system. (Sun Aug 27 2017 - 13:45:10 PDT)
- Re: [AMBER] Error while running antechamber for modified amino acid residue (Sun Aug 27 2017 - 05:57:40 PDT)
- Re: [AMBER] wrong ligand geometry (Sun Aug 27 2017 - 05:40:51 PDT)
- Re: [AMBER] TIP3p lennard jones parameters (Fri Aug 25 2017 - 13:17:08 PDT)
- Re: [AMBER] LINMIN Error while minimizing (Fri Aug 25 2017 - 13:07:09 PDT)
- Re: [AMBER] (kein Betreff) (Tue Aug 22 2017 - 05:14:16 PDT)
- Re: [AMBER] How to move the protein to the corner of the box. (Sun Aug 20 2017 - 06:05:52 PDT)
- Re: [AMBER] Install amber 14 in nvidia gpu tesla k40 (Sat Aug 19 2017 - 09:04:59 PDT)
- Re: [AMBER] Performed MMPBSA.py.MPI failed in Amber16 with Ambertools 17 (Fri Aug 18 2017 - 13:59:41 PDT)
- Re: [AMBER] Problem with tleap (non atom type) (Fri Aug 18 2017 - 13:44:33 PDT)
- Re: [AMBER] Install in gpu AMBER14 for high performance computer (Thu Aug 17 2017 - 11:57:18 PDT)
- Re: [AMBER] Amber Install Failure - update does not work (Wed Aug 16 2017 - 07:06:32 PDT)
- Re: [AMBER] Amber Install Failure - update does not work (Tue Aug 15 2017 - 20:41:03 PDT)
- [AMBER] Amber web site is back up (Tue Aug 15 2017 - 06:49:49 PDT)
- Re: [AMBER] Cpptraj to center molecules (Sun Aug 13 2017 - 05:32:15 PDT)
- Re: [AMBER] SASA energy (Sat Aug 12 2017 - 06:32:57 PDT)
- [AMBER] The Amber web site is down.... (Fri Aug 11 2017 - 09:54:54 PDT)
- Re: [AMBER] Use of param.Frosst parameters to prepare a ligand in Ambertools? (Thu Aug 10 2017 - 10:47:54 PDT)
- Re: [AMBER] Is this necessary HOH=SPC command (Thu Aug 10 2017 - 10:24:21 PDT)
- Re: [AMBER] Query about SPC and SPCE water model (Thu Aug 10 2017 - 04:18:12 PDT)
- Re: [AMBER] Error in leap on using divalent ion (Wed Aug 09 2017 - 08:35:44 PDT)
- Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT (Wed Aug 09 2017 - 04:42:57 PDT)
- Re: [AMBER] Problem with leaprc.ff14SB (Tue Aug 08 2017 - 12:55:00 PDT)
- Re: [AMBER] polarization force field (Tue Aug 08 2017 - 04:19:40 PDT)
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Mon Aug 07 2017 - 12:54:42 PDT)
- Re: [AMBER] QM/MM calculation in Amber (Sun Aug 06 2017 - 11:37:38 PDT)
- Re: [AMBER] parametrization of an RNA base (Sun Aug 06 2017 - 11:33:40 PDT)
- Re: [AMBER] Using polarizable force field ff02 in AMBER 14 (Fri Aug 04 2017 - 08:18:42 PDT)
- Re: [AMBER] Compilation of Amber 14 (Thu Aug 03 2017 - 18:20:59 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Thu Aug 03 2017 - 18:07:42 PDT)
- Re: [AMBER] Number of triangulated 3-point waters found: 0 (Thu Aug 03 2017 - 05:09:32 PDT)
- Re: [AMBER] different crd format? (Thu Aug 03 2017 - 05:06:31 PDT)
- Re: [AMBER] amber install (Thu Aug 03 2017 - 05:02:01 PDT)
- Re: [AMBER] pbc box information missing (Thu Aug 03 2017 - 04:59:00 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Thu Aug 03 2017 - 04:55:44 PDT)
- Re: [AMBER] Tleap processing of membrane protein in amber-16 (Wed Aug 02 2017 - 06:42:27 PDT)
- Re: [AMBER] Tleap parametrisation of NA+ bound proteins (Tue Aug 01 2017 - 10:23:42 PDT)
- Re: [AMBER] If I use source leaprc.gaff command for DNA and protein is it load gaff forcefield or ff14SB force field?? (Tue Aug 01 2017 - 05:21:25 PDT)
David Cerutti
- Re: [AMBER] Thermodynamic Integration question (Tue Aug 22 2017 - 16:01:29 PDT)
david kastner
- [AMBER] Amber Atom Types for Non-standard Residue (Sat Aug 05 2017 - 18:08:23 PDT)
Elvis Martis
- Re: [AMBER] SASA energy (Fri Aug 11 2017 - 20:13:53 PDT)
- Re: [AMBER] SASA energy (Fri Aug 11 2017 - 12:06:40 PDT)
Feng Pan
- Re: [AMBER] RMSD colvar (Sun Aug 27 2017 - 21:09:03 PDT)
- Re: [AMBER] calculate PMF in string methods (Sat Aug 19 2017 - 00:28:35 PDT)
- Re: [AMBER] calculate PMF in string methods (Thu Aug 17 2017 - 15:48:55 PDT)
- Re: [AMBER] results for string methods (Tue Aug 08 2017 - 10:27:38 PDT)
- Re: [AMBER] -rem flags in string method with swarms of trajectories amber (Wed Aug 02 2017 - 15:24:59 PDT)
- Re: [AMBER] -rem flags in string method with swarms of trajectories amber (Wed Aug 02 2017 - 15:18:46 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 13:37:33 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 12:59:28 PDT)
Georg Kuenze
- [AMBER] Amber workshop? (Wed Aug 23 2017 - 14:51:23 PDT)
George Tzotzos
- Re: [AMBER] Problem with leaprc.ff14SB (Wed Aug 09 2017 - 08:20:53 PDT)
- [AMBER] Problem with leaprc.ff14SB (Tue Aug 08 2017 - 10:50:59 PDT)
giulia palermo
- [AMBER] parametrization of an RNA base (Fri Aug 04 2017 - 14:48:01 PDT)
Goetz, Andreas
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 12:19:55 PDT)
- Re: [AMBER] how to implement GEN keyword in QM/MM with external program (Fri Aug 18 2017 - 11:33:04 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Thu Aug 17 2017 - 12:53:05 PDT)
- Re: [AMBER] QMMM error: "| Flags: getting box info from netcdf restart file" (Thu Aug 10 2017 - 09:52:58 PDT)
- Re: [AMBER] adQMMM overheating (Thu Aug 10 2017 - 00:41:04 PDT)
- Re: [AMBER] adQMMM overheating (Tue Aug 08 2017 - 14:58:20 PDT)
Guqin Shi
- Re: [AMBER] Clarification about Gnp settings in MM/PBSA (Tue Aug 29 2017 - 13:00:47 PDT)
- [AMBER] Clarification about Gnp settings in MM/PBSA (Tue Aug 29 2017 - 11:35:51 PDT)
Gustavo Seabra
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 19:06:32 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 18:51:19 PDT)
- Re: [AMBER] Amber16/DFTB and bromine (Fri Aug 18 2017 - 13:02:26 PDT)
Hai Nguyen
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 19:01:01 PDT)
- Re: [AMBER] Error-Calculating distance between two atoms in CPPTRAJ (Fri Aug 11 2017 - 09:52:26 PDT)
- Re: [AMBER] Building of beta strand (Mon Aug 07 2017 - 12:23:58 PDT)
- Re: [AMBER] RDF for dendrimer (Fri Aug 04 2017 - 14:34:55 PDT)
- Re: [AMBER] amber install (Wed Aug 02 2017 - 21:34:18 PDT)
- Re: [AMBER] Building of beta strand (Wed Aug 02 2017 - 10:24:54 PDT)
- Re: [AMBER] Building of beta strand (Wed Aug 02 2017 - 09:27:47 PDT)
Hannes Konegger
- Re: [AMBER] Manual parameterization of the TIP4P/2005 water model (Wed Aug 02 2017 - 01:27:32 PDT)
Hannes Loeffler
- Re: [AMBER] (kein Betreff) (Tue Aug 22 2017 - 01:56:40 PDT)
- Re: [AMBER] Thermodynamic Integration using PMEMD (Fri Aug 18 2017 - 09:36:24 PDT)
- Re: [AMBER] Thermodynamic Integration using PMEMD (Fri Aug 18 2017 - 07:20:10 PDT)
- Re: [AMBER] Thermodynamic Integration using PMEMD (Fri Aug 18 2017 - 00:09:45 PDT)
- Re: [AMBER] About common Gromacs and Amber Benchmarks (Tue Aug 08 2017 - 00:45:01 PDT)
Jag Silwal
- [AMBER] Pairwise Decomposition-Mask not wroking? (Tue Aug 15 2017 - 09:09:21 PDT)
- [AMBER] Pairwise-Decomposition Energy (Mon Aug 14 2017 - 07:45:08 PDT)
- Re: [AMBER] Error-Calculating distance between two atoms in CPPTRAJ (Fri Aug 11 2017 - 10:00:21 PDT)
- [AMBER] Error-Calculating distance between two atoms in CPPTRAJ (Fri Aug 11 2017 - 09:42:21 PDT)
- [AMBER] Decomposition Energy Problem with Aspartic Acid only (Fri Aug 11 2017 - 09:18:45 PDT)
James Kress
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Thu Aug 31 2017 - 13:28:38 PDT)
- Re: [AMBER] How to put the restrain on just part of the system. (Mon Aug 28 2017 - 15:33:13 PDT)
- Re: [AMBER] LINMIN Error while minimizing (Fri Aug 25 2017 - 10:36:32 PDT)
- Re: [AMBER] Amber Install Failure - update does not work (Wed Aug 16 2017 - 08:45:27 PDT)
- [AMBER] Amber Install Failure - update does not work (Tue Aug 15 2017 - 15:47:52 PDT)
James Starlight
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Thu Aug 31 2017 - 09:57:38 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Thu Aug 31 2017 - 09:31:12 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Thu Aug 31 2017 - 07:52:04 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:54:33 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:42:57 PDT)
- Re: [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:39:21 PDT)
- [AMBER] TIP3PBOX for membrane system (Wed Aug 30 2017 - 02:25:00 PDT)
- Re: [AMBER] Calculation the Area per lipids using cpptraj (Wed Aug 30 2017 - 01:00:03 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 25 2017 - 14:26:46 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Wed Aug 23 2017 - 08:50:58 PDT)
- Re: [AMBER] Calculation the Area per lipids using cpptraj (Wed Aug 23 2017 - 06:33:35 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Tue Aug 22 2017 - 07:26:11 PDT)
- [AMBER] Calculation the Area per lipids using cpptraj (Mon Aug 21 2017 - 01:19:35 PDT)
- Re: [AMBER] A restrain mask for membrane protein simulation (Fri Aug 18 2017 - 07:34:41 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 07:33:21 PDT)
- [AMBER] A restrain mask for membrane protein simulation (Fri Aug 18 2017 - 07:17:05 PDT)
- Re: [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 06:36:28 PDT)
- [AMBER] An equilibration of the membrane protein prepared by charmm-gui (Fri Aug 18 2017 - 00:23:24 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Thu Aug 17 2017 - 04:25:35 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Thu Aug 17 2017 - 01:44:42 PDT)
- Re: [AMBER] charmmlipid2amber.py with Charm-gui lipids (Wed Aug 16 2017 - 10:57:40 PDT)
- [AMBER] charmmlipid2amber.py with Charm-gui lipids (Wed Aug 16 2017 - 08:54:01 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Wed Aug 09 2017 - 02:21:12 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Mon Aug 07 2017 - 11:07:31 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Mon Aug 07 2017 - 09:28:15 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Mon Aug 07 2017 - 08:00:19 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Fri Aug 04 2017 - 11:50:25 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Fri Aug 04 2017 - 05:34:02 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Fri Aug 04 2017 - 00:19:27 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Thu Aug 03 2017 - 06:38:34 PDT)
- Re: [AMBER] A bug with unperturbed charge during tleap processing (Thu Aug 03 2017 - 01:27:19 PDT)
- [AMBER] A bug with unperturbed charge during tleap processing (Wed Aug 02 2017 - 11:16:02 PDT)
- [AMBER] Barostat options for membrane protein simulations in NPT (Wed Aug 02 2017 - 08:21:15 PDT)
- Re: [AMBER] Tleap processing of membrane protein in amber-16 (Wed Aug 02 2017 - 06:56:45 PDT)
- Re: [AMBER] Tleap parametrisation of NA+ bound proteins (Wed Aug 02 2017 - 06:29:45 PDT)
- [AMBER] Tleap processing of membrane protein in amber-16 (Wed Aug 02 2017 - 03:52:14 PDT)
- Re: [AMBER] Tleap parametrisation of NA+ bound proteins (Wed Aug 02 2017 - 03:47:22 PDT)
- [AMBER] Tleap parametrisation of NA+ bound proteins (Tue Aug 01 2017 - 06:56:25 PDT)
Jason Swails
- Re: [AMBER] ... RESTARTED DUE TO LINMIN FAILURE ... (Mon Aug 28 2017 - 19:02:11 PDT)
- Re: [AMBER] Deprotonation of Tyr using Parmed (Mon Aug 28 2017 - 18:57:59 PDT)
- Re: [AMBER] cphstats Error: Could not open or parse cpin file (Mon Aug 28 2017 - 18:52:15 PDT)
- Re: [AMBER] Deprotonation of Tyr using Parmed (Thu Aug 24 2017 - 02:01:16 PDT)
Jewgeni Starikow
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Mon Aug 28 2017 - 06:45:45 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Mon Aug 28 2017 - 00:26:42 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 22:24:26 PDT)
- Re: [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 22:22:29 PDT)
- [AMBER] I have generated an AMBER trajectory with coordinates, velocities and forces. How can I place the relevant data sets in the text file? (Sun Aug 27 2017 - 14:41:29 PDT)
Jiyuan Liu
- Re: [AMBER] Performed MMPBSA.py.MPI failed in Amber16 with Ambertools 17 (Mon Aug 21 2017 - 07:22:48 PDT)
- Re: [AMBER] Performed MMPBSA.py.MPI failed in Amber16 with Ambertools 17 (Sun Aug 20 2017 - 07:35:09 PDT)
- Re: [AMBER] Performed MMPBSA.py.MPI failed in Amber16 with Ambertools 17 (Sat Aug 19 2017 - 05:48:07 PDT)
- [AMBER] Performed MMPBSA.py.MPI failed in Amber16 with Ambertools 17 (Fri Aug 18 2017 - 10:28:05 PDT)
Julian Stys
- Re: [AMBER] Hybridization problem in Amber (Mon Aug 28 2017 - 15:11:08 PDT)
- [AMBER] Hybridization problem in Amber (Fri Aug 25 2017 - 12:14:24 PDT)
Junmei Wang
- Re: [AMBER] (kein Betreff) (Wed Aug 30 2017 - 08:27:44 PDT)
- Re: [AMBER] (kein Betreff) (Tue Aug 29 2017 - 07:02:48 PDT)
- Re: [AMBER] (kein Betreff) (Tue Aug 29 2017 - 06:54:03 PDT)
- Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT (Tue Aug 15 2017 - 04:51:09 PDT)
Kasprzak, Wojciech (NIH/NCI) [C]
- [AMBER] How best to build a solvent box for a solute with changing dimensions? (Mon Aug 07 2017 - 08:53:57 PDT)
Kris Feher
- [AMBER] problems with the HAP tutorial (Thu Aug 10 2017 - 03:25:06 PDT)
kurisaki
- [AMBER] iat >= 3 in PMEMD and PMEMD.cuda (Tue Aug 08 2017 - 18:09:51 PDT)
Leandro Bortot
- Re: [AMBER] Amber Install Failure - update does not work (Thu Aug 17 2017 - 06:21:43 PDT)
Lin Song
- Re: [AMBER] Thermodynamic Integration question (Tue Aug 22 2017 - 16:33:43 PDT)
- [AMBER] Thermodynamic Integration question (Tue Aug 22 2017 - 15:51:08 PDT)
liu junjun
- Re: [AMBER] amber install (Wed Aug 02 2017 - 20:00:36 PDT)
Lizelle Lubbe
- [AMBER] frcmod file format (Thu Aug 31 2017 - 03:03:45 PDT)
- Re: [AMBER] TIP3p lennard jones parameters (Thu Aug 31 2017 - 01:45:57 PDT)
- [AMBER] Segmentation error in minimization (Mon Aug 28 2017 - 05:49:06 PDT)
- [AMBER] TIP3p lennard jones parameters (Fri Aug 25 2017 - 08:19:10 PDT)
- [AMBER] RESP calculation in MCPBpy (Fri Aug 25 2017 - 03:39:18 PDT)
- [AMBER] Periodicity of metal bond (Tue Aug 15 2017 - 06:28:22 PDT)
Malay Raul
- [AMBER] ... RESTARTED DUE TO LINMIN FAILURE ... (Wed Aug 09 2017 - 08:23:31 PDT)
Marcelo Andrade Chagas
- [AMBER] convert .mae topology to .prmtop topology? (Wed Aug 30 2017 - 20:14:56 PDT)
Marcos Serrou do Amaral
- Re: [AMBER] Deprotonation of Tyr (Mon Aug 21 2017 - 16:25:46 PDT)
- Re: [AMBER] Deprotonation of Tyr (Mon Aug 21 2017 - 12:34:52 PDT)
Mark Berger
- [AMBER] Webinar: “An AI Quantum Breakthrough: ANAKIN-ME” (Thu Aug 31 2017 - 13:33:34 PDT)
Maryam Hamzehee
- [AMBER] Binding free energy for dimeric form (Wed Aug 23 2017 - 04:55:07 PDT)
Milo Westler
- Re: [AMBER] Compilation of Amber 14 (Fri Aug 04 2017 - 12:44:56 PDT)
- Re: [AMBER] Compilation of Amber 14 (Fri Aug 04 2017 - 09:00:39 PDT)
- [AMBER] Compilation of Amber 14 (Thu Aug 03 2017 - 13:01:10 PDT)
Mohammad Zahidul Hossain Khan
- Re: [AMBER] SASA energy (Wed Aug 16 2017 - 11:41:12 PDT)
- Re: [AMBER] SASA energy (Wed Aug 16 2017 - 11:09:14 PDT)
- Re: [AMBER] SASA energy (Fri Aug 11 2017 - 12:17:08 PDT)
- [AMBER] SASA energy (Fri Aug 11 2017 - 10:17:57 PDT)
- [AMBER] amber install (Wed Aug 02 2017 - 19:06:31 PDT)
- [AMBER] amber install (Wed Aug 02 2017 - 15:04:19 PDT)
MOHD HOMAIDUR RAHMAN
- [AMBER] Regarding GPU card (Thu Aug 24 2017 - 07:32:10 PDT)
Neha Gandhi
- [AMBER] amber frcmod file (Thu Aug 03 2017 - 01:51:40 PDT)
- [AMBER] GaMD (Tue Aug 01 2017 - 16:00:55 PDT)
Nikolay N. Kuzmich
- [AMBER] Amber TI accuracy (Tue Aug 15 2017 - 08:36:59 PDT)
pancham lal Gupta
- Re: [AMBER] Deprotonation of Tyr (Wed Aug 30 2017 - 08:40:08 PDT)
Parviz Seifpanahi Shabane
- Re: [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file. (Thu Aug 31 2017 - 10:11:49 PDT)
- [AMBER] How to add the charged sphere (ion) with arbitrary charge to my PDB file. (Thu Aug 31 2017 - 08:11:44 PDT)
- Re: [AMBER] How to put the restrain on just part of the system. (Sun Aug 27 2017 - 15:57:17 PDT)
- [AMBER] How to put the restrain on just part of the system. (Sun Aug 27 2017 - 08:05:24 PDT)
- [AMBER] How to move the protein to the corner of the box. (Sat Aug 19 2017 - 13:49:37 PDT)
- [AMBER] Problem with tleap (non atom type) (Fri Aug 18 2017 - 07:51:06 PDT)
Paul Westphälinger
- Re: [AMBER] Error in Amber16 documentation (Wed Aug 16 2017 - 07:32:18 PDT)
- [AMBER] Error in Amber16 documentation (Wed Aug 16 2017 - 03:30:01 PDT)
Pengfei Li
- Re: [AMBER] frcmod file format (Thu Aug 31 2017 - 07:48:34 PDT)
- Re: [AMBER] Periodicity of metal bond (Tue Aug 15 2017 - 07:50:00 PDT)
- Re: [AMBER] Parameters for HEME-CYS covalent bond (Sat Aug 05 2017 - 20:16:24 PDT)
Pär Håkansson
- Re: [AMBER] Closest velocities (Tue Aug 29 2017 - 00:31:23 PDT)
- [AMBER] Closest velocities (Thu Aug 24 2017 - 12:20:04 PDT)
Rajarshi Roy
- Re: [AMBER] Error while running antechamber for modified amino acid residue (Sun Aug 27 2017 - 09:22:33 PDT)
- [AMBER] Error while running antechamber for modified amino acid residue (Sun Aug 27 2017 - 04:50:28 PDT)
- Re: [AMBER] Building of beta strand (Tue Aug 08 2017 - 03:40:34 PDT)
- Re: [AMBER] Building of beta strand (Wed Aug 02 2017 - 21:34:08 PDT)
- Re: [AMBER] Building of beta strand (Wed Aug 02 2017 - 09:32:52 PDT)
- [AMBER] Building of beta strand (Wed Aug 02 2017 - 07:51:19 PDT)
Rakesh Srivastava
- Re: [AMBER] Query regarding water-water interaction potential in GIST output (Tue Aug 29 2017 - 21:22:07 PDT)
- [AMBER] Query regarding water-water interaction potential in GIST output (Tue Aug 29 2017 - 04:56:54 PDT)
Roma Mukhopadhyay
- Re: [AMBER] Thermodynamic Integration using PMEMD (Fri Aug 18 2017 - 09:13:46 PDT)
- Re: [AMBER] Thermodynamic Integration using PMEMD (Fri Aug 18 2017 - 06:34:32 PDT)
- [AMBER] Thermodynamic Integration using PMEMD (Thu Aug 17 2017 - 11:24:00 PDT)
Ross Walker
- Re: [AMBER] Regarding GPU card (Thu Aug 24 2017 - 09:58:30 PDT)
- Re: [AMBER] Amber workshop? (Thu Aug 24 2017 - 09:54:28 PDT)
RYDER WHITTAKER HAWKINS
- [AMBER] Impose bond lengths (Fri Aug 18 2017 - 08:35:58 PDT)
Saikat Pal
- Re: [AMBER] For restraint heating (Tue Aug 29 2017 - 07:29:41 PDT)
- [AMBER] For restraint heating (Tue Aug 29 2017 - 07:06:08 PDT)
- [AMBER] problem in minimization and heating (Tue Aug 29 2017 - 00:42:37 PDT)
- [AMBER] mpirun -np 1 and mpirun -np 2 Peer to Peer support problem (Mon Aug 21 2017 - 03:22:17 PDT)
- [AMBER] Install amber 14 in nvidia gpu tesla k40 (Sat Aug 19 2017 - 00:24:36 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 07:33:34 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 06:50:13 PDT)
- Re: [AMBER] How many GPU card is working (Fri Aug 18 2017 - 05:35:48 PDT)
- [AMBER] How many GPU card is working (Fri Aug 18 2017 - 04:33:47 PDT)
- Re: [AMBER] Install in gpu AMBER14 for high performance computer (Thu Aug 17 2017 - 23:57:46 PDT)
- [AMBER] Install in gpu AMBER14 for high performance computer (Thu Aug 17 2017 - 08:46:02 PDT)
- [AMBER] Is this necessary HOH=SPC command (Thu Aug 10 2017 - 05:32:52 PDT)
- [AMBER] Query about SPC and SPCE water model (Thu Aug 10 2017 - 04:03:35 PDT)
- [AMBER] If I use source leaprc.gaff command for DNA and protein is it load gaff forcefield or ff14SB force field?? (Tue Aug 01 2017 - 03:54:10 PDT)
sangita kachhap
- [AMBER] angle of domain movement calculation (Wed Aug 23 2017 - 03:05:29 PDT)
- Re: [AMBER] polarization force field (Tue Aug 08 2017 - 05:50:46 PDT)
- [AMBER] polarization force field (Tue Aug 08 2017 - 03:25:12 PDT)
Sanjib Paul
- [AMBER] Applying external force along a particular direction (Thu Aug 03 2017 - 05:45:29 PDT)
- [AMBER] External force apply along a particular direction (Wed Aug 02 2017 - 00:21:30 PDT)
Scott Brozell
- Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT (Tue Aug 08 2017 - 20:06:29 PDT)
- Re: [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT (Tue Aug 08 2017 - 14:22:54 PDT)
- Re: [AMBER] string methods in AMBER16 (Tue Aug 01 2017 - 12:59:07 PDT)
Scott Le Grand
- Re: [AMBER] Regarding GPU card (Thu Aug 24 2017 - 11:25:17 PDT)
Shilpa Gupta
- [AMBER] Number of triangulated 3-point waters found: 0 (Thu Aug 03 2017 - 03:50:59 PDT)
Silvana Valdebenito Silva
- [AMBER] Fw: Ambermd Error: an illegal memory access was encountered launching kernel kClearForces (Sat Aug 26 2017 - 10:13:16 PDT)
Sowmya Indrakumar
- Re: [AMBER] Deprotonation of Tyr using Parmed (Thu Aug 24 2017 - 06:04:32 PDT)
- Re: [AMBER] Deprotonation of Tyr using Parmed (Tue Aug 22 2017 - 07:08:06 PDT)
- Re: [AMBER] Deprotonation of Tyr using Parmed (Tue Aug 22 2017 - 06:41:11 PDT)
- Re: [AMBER] Deprotonation of Tyr (Mon Aug 21 2017 - 13:19:15 PDT)
- [AMBER] Deprotonation of Tyr (Mon Aug 21 2017 - 08:37:54 PDT)
- Re: [AMBER] Deprotonation of Tyr (Sun Aug 20 2017 - 06:45:32 PDT)
- Re: [AMBER] Deprotonation of Tyr (Fri Aug 18 2017 - 08:57:44 PDT)
- [AMBER] Deprotonation of Tyr (Fri Aug 18 2017 - 08:24:46 PDT)
Steven Ramsey
- Re: [AMBER] Query regarding water-water interaction potential in GIST output (Tue Aug 29 2017 - 07:03:40 PDT)
Suchetana Gupta
- Re: [AMBER] AMBER Digest, Vol 2042, Issue 1 (Thu Aug 31 2017 - 03:13:38 PDT)
- [AMBER] Distance Restraint using COM for Umbrella Sampling (Tue Aug 29 2017 - 05:56:49 PDT)
Szymon Żaczek
- Re: [AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files (Tue Aug 01 2017 - 11:17:17 PDT)
Thomas Charles Pochapsky
- Re: [AMBER] Parameters for HEME-CYS covalent bond (Sat Aug 05 2017 - 05:25:31 PDT)
Thomas Evangelidis
- [AMBER] wrong ligand geometry (Sat Aug 26 2017 - 12:41:33 PDT)
Traeg, Johannes
- Re: [AMBER] (kein Betreff) (Thu Aug 31 2017 - 01:11:33 PDT)
- Re: [AMBER] (kein Betreff) (Wed Aug 30 2017 - 02:28:48 PDT)
- Re: [AMBER] (kein Betreff) (Tue Aug 22 2017 - 03:31:48 PDT)
- [AMBER] (kein Betreff) (Tue Aug 22 2017 - 01:47:49 PDT)
Tsai Kun-Lin
- [AMBER] gaff2 atom type (cs) is not in PARMCHK.DAT (Mon Aug 07 2017 - 17:51:44 PDT)
Vincent Ustach
- Re: [AMBER] cphstats Error: Could not open or parse cpin file (Thu Aug 24 2017 - 20:22:28 PDT)
Vlad
- [AMBER] About common Gromacs and Amber Benchmarks (Tue Aug 08 2017 - 00:38:55 PDT)
Xing
- Re: [AMBER] Can pmemd.cuda.MPI do SMD on GPUs? (Thu Aug 17 2017 - 13:59:12 PDT)
- [AMBER] Can pmemd.cuda.MPI do SMD on GPUs? (Wed Aug 16 2017 - 14:16:47 PDT)
- Re: [AMBER] Units in dist_vs_t file from SMD simulation (Tue Aug 15 2017 - 17:10:51 PDT)
- Re: [AMBER] Units in dist_vs_t file from SMD simulation (Mon Aug 14 2017 - 21:08:24 PDT)
沖本憲明
- [AMBER] grid command in cpptraj (Wed Aug 16 2017 - 07:23:10 PDT)

Amber Archive Aug 2017 by author