Amber Archive May 2012 by thread
- Re: [AMBER] getting metal ions coordinates of nmr structures of a protein Daniel Sindhikara (Mon Apr 30 2012 - 18:48:44 PDT)
- Re: [AMBER] input format for qms Jason Swails (Tue May 01 2012 - 03:26:27 PDT)
- [AMBER] Some problem with building Non-standard residue Nicholus Bhattacharjee (Tue May 01 2012 - 04:43:49 PDT)
- Re: [AMBER] error in decomposition analysis using ambertools 1.5 Jason Swails (Tue May 01 2012 - 08:41:05 PDT)
- Re: [AMBER] using two GPUs Robert Crovella (Tue May 01 2012 - 12:15:05 PDT)
- Re: [AMBER] Amber 12 Installation errors relevant to fftw3 Shulin Zhuang (Tue May 01 2012 - 18:53:32 PDT)
- Re: [AMBER] Huge discrepancy in el part of "solvation energy" using Thermodynamic Integration Marek Maly (Tue May 01 2012 - 20:12:18 PDT)
- Re: [AMBER] mbondi3 Hai Nguyen (Tue May 01 2012 - 21:44:46 PDT)
- [AMBER] anisotropic pressure in bilayer simulation Vijay Manickam Achari (Wed May 02 2012 - 04:26:22 PDT)
- [AMBER] what's the difference between sandar.MPI and sander.LES.MPI ? Albert (Wed May 02 2012 - 05:26:45 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Wed May 02 2012 - 05:54:08 PDT)
- [AMBER] Umbrella sampling using GPU acceleration Massimiliano Porrini (Wed May 02 2012 - 06:22:41 PDT)
- Re: [AMBER] Radii in prmtop Jesper Sørensen (Wed May 02 2012 - 07:59:56 PDT)
- [AMBER] Energy Differences between mmpbsa_py_energy and sander outputs Damodaran, Komath (Wed May 02 2012 - 13:45:36 PDT)
- [AMBER] RESP structure optimization for larger ligand Robin Betz (Wed May 02 2012 - 15:44:09 PDT)
- [AMBER] a question about ensemble Albert (Wed May 02 2012 - 22:33:10 PDT)
- [AMBER] Max Pairlist Cutoff issue Agostino Bruno (Wed May 02 2012 - 23:50:35 PDT)
- [AMBER] adding/deleting water molecules in leap Bala subramanian (Thu May 03 2012 - 04:33:13 PDT)
- [AMBER] CHAMBER with RNA Sean Law (Thu May 03 2012 - 08:16:22 PDT)
- [AMBER] Amber 11, Amber-Tools 1.5 and Amber-Tools 12 respgen Bug Marko Wehle (Thu May 03 2012 - 09:58:07 PDT)
- [AMBER] Building Amber 12 & python Shaw, Sharon (Thu May 03 2012 - 12:58:17 PDT)
- [AMBER] MCPB espgen error Fabrício Bracht (Thu May 03 2012 - 14:00:58 PDT)
- [AMBER] am1d problem Gabriel Jara (Thu May 03 2012 - 15:10:38 PDT)
- [AMBER] Fwd: question pooja chahal (Thu May 03 2012 - 22:15:23 PDT)
- [AMBER] question pooja chahal (Thu May 03 2012 - 22:16:58 PDT)
- [AMBER] Amber10 parallel test Shaandar Nyamtulga (Thu May 03 2012 - 22:34:11 PDT)
- [AMBER] ptraj closest water script problem Andre Serobian (Fri May 04 2012 - 02:32:21 PDT)
- [AMBER] Why not AmberTools12 bugfix.all Alan (Fri May 04 2012 - 04:15:37 PDT)
- [AMBER] add H-atoms automatic in tleap Zhou Gong (Fri May 04 2012 - 07:52:34 PDT)
- [AMBER] A1. Conversion of Gaussian output into mol 2 file Debolina Mitra (Sun May 06 2012 - 06:23:51 PDT)
- [AMBER] Decoupling of the restrained ligand using Thermodynamic Integration in Amber ? Marek Maly (Sun May 06 2012 - 18:26:46 PDT)
- [AMBER] include/fftw3.h(370): error: identifier "__float128" is undefined Mark Rance (Sun May 06 2012 - 20:56:45 PDT)
- [AMBER] strange CUDA MD output in VMD Albert (Sun May 06 2012 - 23:22:41 PDT)
- [AMBER] MMPBSA calculation of large proteins Jyotsna Bhat (Sun May 06 2012 - 23:58:16 PDT)
- [AMBER] Homotrimeric structure not holding together during equilibration steps an MD simulations. Emilio Lence (Mon May 07 2012 - 03:38:47 PDT)
- [AMBER] PLEASE GIVE SOME SUGGESTION jit mukherjee (Mon May 07 2012 - 05:14:44 PDT)
- [AMBER] intel compiler still doesn't work for MPI Albert (Mon May 07 2012 - 12:09:37 PDT)
- [AMBER] error when using PMEMD Chris Chris (Mon May 07 2012 - 12:22:06 PDT)
- [AMBER] CUDA running error Albert (Mon May 07 2012 - 13:31:15 PDT)
- [AMBER] error with torus in ffgbsa Charlotte Siska (Mon May 07 2012 - 15:31:29 PDT)
- [AMBER] About the system temperature of QMMM simulations (amber12+ Terachem V1.5 ) Yeng-Tseng Wang (Mon May 07 2012 - 18:05:55 PDT)
- [AMBER] help with pmemd .in file Chris Chris (Mon May 07 2012 - 18:15:58 PDT)
- [AMBER] About the system temperature of QMMM simulations (amber12+ Terachem V1.5 ) c00jsw00.nchc.narl.org.tw (Mon May 07 2012 - 10:20:07 PDT)
- [AMBER] Sander Error Melissa Buskes (Mon May 07 2012 - 22:27:40 PDT)
- [AMBER] CUDA test failed Albert (Mon May 07 2012 - 23:44:15 PDT)
- [AMBER] strange CUDA benchmark Albert (Tue May 08 2012 - 01:36:01 PDT)
- [AMBER] apply an external force between two residue mehdi bagherpoor (Tue May 08 2012 - 02:08:04 PDT)
- [AMBER] high value in MMPBSA xiaojiong (Tue May 08 2012 - 02:34:20 PDT)
- [AMBER] charmmlipid2amber.x error Albert (Tue May 08 2012 - 02:39:37 PDT)
- [AMBER] job terminate abnormally Albert (Tue May 08 2012 - 07:16:25 PDT)
- [AMBER] Error while loading file in VMD kirtana S (Tue May 08 2012 - 07:26:42 PDT)
- [AMBER] error in SMD mehdi bagherpoor (Tue May 08 2012 - 08:41:56 PDT)
- [AMBER] non-polar solvation energies decomposed in PB Qiong Zhang (Tue May 08 2012 - 09:19:22 PDT)
- [AMBER] Zinc ion with five coordination bonds Jagur Lambix (Tue May 08 2012 - 10:53:19 PDT)
- [AMBER] inconsistent results in MMPBSA w/o energy decomposition Victor Ma (Tue May 08 2012 - 11:29:53 PDT)
- [AMBER] Purchasing -challenged researcher seeks help on GPU purchase David Cowburn (Tue May 08 2012 - 11:50:12 PDT)
- [AMBER] qmmmmask Jacopo Sgrignani (Tue May 08 2012 - 13:45:16 PDT)
- [AMBER] remd simulation Nadeem Ahmad Vellore (Tue May 08 2012 - 15:43:15 PDT)
- [AMBER] vdW parameters for cations Jesper Sørensen (Tue May 08 2012 - 22:20:57 PDT)
- [AMBER] SA Bomb in sa_arc(): Allocation aborted jyoti alyan (Tue May 08 2012 - 23:53:50 PDT)
- [AMBER] My email Asma Abro 28-FBAS/MSBI/F09 (Wed May 09 2012 - 00:32:21 PDT)
- [AMBER] bug.7 for Amber 12 has some problem Albert (Wed May 09 2012 - 02:52:06 PDT)
- [AMBER] how to specify CUDA devices? Albert (Wed May 09 2012 - 05:47:44 PDT)
- [AMBER] Problems doing MD on protein complex Chris Chris (Wed May 09 2012 - 08:29:22 PDT)
- [AMBER] how much dyne/cm should we use for lipids? Albert (Wed May 09 2012 - 08:54:49 PDT)
- [AMBER] Question on Entropy and MMPBSA calculation Kumar, Sonu (Wed May 09 2012 - 09:09:57 PDT)
- [AMBER] Zinc ion with five coordination bonds Jagur Lambix (Wed May 09 2012 - 09:58:21 PDT)
- [AMBER] different files for protein-protein complex? Asmita Gupta (Wed May 09 2012 - 10:09:12 PDT)
- [AMBER] is NPAT available in Amber 12? Albert (Wed May 09 2012 - 10:57:56 PDT)
- [AMBER] job error Albert (Wed May 09 2012 - 12:07:58 PDT)
- [AMBER] MM-RISM and per residue energy decomposition Lucas A. Defelipe (Wed May 09 2012 - 13:30:16 PDT)
- [AMBER] Energy Differences between mmpbsa_py_energy and sander outputs (reposting) Damodaran, Komath (Wed May 09 2012 - 16:01:16 PDT)
- [AMBER] question about cpptraj surf command Sidney Elmer (Wed May 09 2012 - 17:33:25 PDT)
- [AMBER] how to assign SS bond? Albert (Thu May 10 2012 - 00:05:00 PDT)
- [AMBER] Umbrella sampling mehdi bagherpoor (Thu May 10 2012 - 00:58:48 PDT)
- [AMBER] AM1-DH+ marawan hussain (Thu May 10 2012 - 01:03:13 PDT)
- [AMBER] Amber11 using openmpi (parallel install problem) yjzhao.wh.gmail.com (Thu May 10 2012 - 02:45:39 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Thu May 10 2012 - 10:34:33 PDT)
- [AMBER] parameters for Zinc ion with five coordination bonds. Jagur Lambix (Thu May 10 2012 - 13:12:56 PDT)
- [AMBER] how can we add ACE and NME to to the cap protein terminal? Albert (Thu May 10 2012 - 13:12:44 PDT)
- [AMBER] Problem with the binding free energy from MMPBSA decomposed energies Qiong Zhang (Thu May 10 2012 - 13:17:09 PDT)
- Re: [AMBER] FW: getting metal ions coordinates of nmr structures of a protein Mahendra B Thapa (Thu May 10 2012 - 15:22:46 PDT)
- [AMBER] regarding REMD Dilraj LAMA (Fri May 11 2012 - 00:17:55 PDT)
- [AMBER] lipid11 problem with leap Tales Yuan (Fri May 11 2012 - 00:32:49 PDT)
- [AMBER] Problem regarding antechamber Asma Abro 28-FBAS/MSBI/F09 (Fri May 11 2012 - 01:13:48 PDT)
- [AMBER] slow AMBER on my machine Cao Yang (Fri May 11 2012 - 01:42:17 PDT)
- [AMBER] lipid11 force filed problem with tleap Tales Yuan (Fri May 11 2012 - 02:00:57 PDT)
- [AMBER] sander.MPI error George Tzotzos (Fri May 11 2012 - 02:30:12 PDT)
- [AMBER] Difference in PB results of mmpbsa and mmpbsa.mpi amin.imtech.res.in (Fri May 11 2012 - 02:52:17 PDT)
- [AMBER] does LIPID11 require surface tension ? Vlad Cojocaru (Fri May 11 2012 - 03:03:00 PDT)
- [AMBER] lipid11 force filed question Tales Yuan (Fri May 11 2012 - 03:19:58 PDT)
- [AMBER] Quantification of forces Soumya Lipsa Rath (Fri May 11 2012 - 03:56:54 PDT)
- [AMBER] RNA xleap Charles Johnson (Fri May 11 2012 - 09:18:53 PDT)
- [AMBER] apply an external force mehdi bagherpoor (Sat May 12 2012 - 07:18:11 PDT)
- [AMBER] Placing molecules randomly in a simulation box Massimiliano Porrini (Sat May 12 2012 - 11:09:25 PDT)
- [AMBER] bi-layer membrane system shrink with NPgamaT Albert (Sun May 13 2012 - 23:49:44 PDT)
- [AMBER] qmmm_EXTERN/ tests failing Marc van der Kamp (Mon May 14 2012 - 00:58:52 PDT)
- [AMBER] problems with added hydrogens to non standard residue Urszula Uciechowska (Mon May 14 2012 - 01:26:00 PDT)
- [AMBER] printing out total energy in sander with high precision (more digits) Marc van der Kamp (Mon May 14 2012 - 01:53:52 PDT)
- [AMBER] Amber 12 parallel compilation error Fernando Martín García (Mon May 14 2012 - 03:46:18 PDT)
- [AMBER] Not able to apply bugfix on Amber 11 HIMANSHU JOSHI (Mon May 14 2012 - 03:48:22 PDT)
- [AMBER] ACPYPE error Albert (Mon May 14 2012 - 06:01:07 PDT)
- [AMBER] NetCDF Restart Files - Amber 12 Lucas A. Defelipe (Mon May 14 2012 - 06:26:05 PDT)
- [AMBER] problem installing AMBER12 on MacOSX Robert Oswald (Mon May 14 2012 - 08:06:38 PDT)
- [AMBER] Errrors in mm_pbsa.pl Souvik Sur (Mon May 14 2012 - 09:05:32 PDT)
- [AMBER] How does radial work? Alan (Mon May 14 2012 - 09:27:22 PDT)
- [AMBER] Periodicity errors in pymdsapb Genzo Tanaka (Mon May 14 2012 - 09:57:46 PDT)
- [AMBER] Bug? Zero decomposed vdw and ele energies for explicit water molecules in the decomposed PB calculation. Qiong Zhang (Mon May 14 2012 - 11:45:40 PDT)
- [AMBER] Fwd: Bug? Zero decomposed vdw and ele energies for explicit water molecules in the decomposed PB calculation. Ray Luo, Ph.D. (Mon May 14 2012 - 15:00:37 PDT)
- [AMBER] Antechamber Error Pedro Swagger (Mon May 14 2012 - 15:01:50 PDT)
- [AMBER] How to implement a new energy function in AMBER Xin Geng (Mon May 14 2012 - 15:55:10 PDT)
- [AMBER] Build B form RNA by NAB? Hai Nguyen (Mon May 14 2012 - 22:36:19 PDT)
- [AMBER] mpi problem Syed Tarique Moin (Mon May 14 2012 - 23:04:29 PDT)
- [AMBER] problem in reading pdb file Asmita Gupta (Tue May 15 2012 - 00:18:42 PDT)
- [AMBER] sleap/tleap differences for parmbsc0 DNA C.M. Baker (Tue May 15 2012 - 02:46:22 PDT)
- [AMBER] MMPBSA.py problem marawan hussain (Tue May 15 2012 - 17:13:13 PDT)
- [AMBER] Amber 12 cuda test failed Fernando Martín García (Wed May 16 2012 - 00:32:39 PDT)
- [AMBER] Electrostatic potential calculation. Sudarshan Debnath (Wed May 16 2012 - 02:54:59 PDT)
- [AMBER] Several types of extra point charges in sander? Олег Титов (Wed May 16 2012 - 03:10:25 PDT)
- [AMBER] Is the performance issue of CUDA 4.1 compilers resolved in CUDA 4.2 compilers? Jan-Philip Gehrcke (Wed May 16 2012 - 04:45:27 PDT)
- Re: [AMBER] (no subject) DEBOSTUTI GHOSHDASTIDAR (Wed May 16 2012 - 10:31:44 PDT)
- [AMBER] new Mg parameters Asmita Gupta (Wed May 16 2012 - 11:01:50 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Wed May 16 2012 - 20:09:50 PDT)
- [AMBER] how to calculate the volume of our system? Albert (Thu May 17 2012 - 00:13:06 PDT)
- [AMBER] cpptraj-secstruct colvin (Thu May 17 2012 - 01:06:30 PDT)
- [AMBER] Force.dat file from pbsa calculation tommaso.casalini.mail.polimi.it (Thu May 17 2012 - 05:04:26 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Thu May 17 2012 - 08:45:49 PDT)
- [AMBER] Failure in mol surf in pymdpbsa Genzo Tanaka (Thu May 17 2012 - 09:08:10 PDT)
- [AMBER] Iron-Sulfur Cluster Wilson, Katie (Thu May 17 2012 - 12:14:41 PDT)
- [AMBER] prmtop generated from chamber colvin (Thu May 17 2012 - 20:38:54 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Thu May 17 2012 - 22:11:00 PDT)
- [AMBER] The QMMM_MD err calculation of amber12+ gamessUS javacfish (Fri May 18 2012 - 02:52:12 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Fri May 18 2012 - 05:59:00 PDT)
- [AMBER] Output from pairwise decomposition with MMPBSA.py(.MPI) Åge Skjevik (Fri May 18 2012 - 06:01:26 PDT)
- [AMBER] High Electrostatic Interaction Khaled Barakat (Fri May 18 2012 - 07:54:39 PDT)
- [AMBER] sander error in the decomposed MMGBSA using Ambertools12 and Amber11 Qiong Zhang (Fri May 18 2012 - 11:29:30 PDT)
- [AMBER] was the bug fixed for tleap? Albert (Fri May 18 2012 - 11:43:17 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Fri May 18 2012 - 12:29:45 PDT)
- [AMBER] pmemd.cuda for JAC benchmark Mohammad Ashraf Bhuiyan (Fri May 18 2012 - 13:26:31 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Fri May 18 2012 - 21:33:18 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Fri May 18 2012 - 21:50:10 PDT)
- [AMBER] Problem Installing Amber on Mac OSX Lion Arthur Roberts (Sat May 19 2012 - 17:45:53 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Sun May 20 2012 - 02:27:58 PDT)
- Re: [AMBER] Problem Installing Amber on Mac OSX Lion (lenin) Julio Dominguez (Sun May 20 2012 - 16:08:53 PDT)
- [AMBER] MMPBSA-CalcError marawan hussain (Sun May 20 2012 - 19:00:46 PDT)
- [AMBER] Electrostatic potential calculation Sudarshan Debnath (Mon May 21 2012 - 01:20:52 PDT)
- [AMBER] setting gcc compiler Alan (Mon May 21 2012 - 05:49:03 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Mon May 21 2012 - 12:11:04 PDT)
- [AMBER] add new functions into Amber10 Xin Geng (Mon May 21 2012 - 12:59:51 PDT)
- [AMBER] amber99tor and amber99ez force field Indrajit Deb (Mon May 21 2012 - 13:21:43 PDT)
- [AMBER] OT -- Have a Model Setup Wish List? Lachele Foley (Lists) (Mon May 21 2012 - 18:03:48 PDT)
- [AMBER] antechamber problem anyiphysics.gmail.com (Mon May 21 2012 - 20:11:10 PDT)
- [AMBER] where's http://ambermd.org/bugfixes/11.0/bugfix.all? Alan (Tue May 22 2012 - 04:03:11 PDT)
- [AMBER] High Electrostatic interaction Khaled Barakat (Tue May 22 2012 - 07:41:25 PDT)
- [AMBER] how to use self compiled Ambertools1.5 and Amber11 on the cluster Qiong Zhang (Tue May 22 2012 - 07:59:40 PDT)
- [AMBER] cuda.a(kNLRadixSort. o): undefined reference to symbol '__cxa_pure_virtual Mark Rance (Tue May 22 2012 - 10:18:36 PDT)
- [AMBER] refc error with PMEMD.MPI g t (Tue May 22 2012 - 10:55:41 PDT)
- [AMBER] creating a primitive object such as a cylinder in amber g t (Tue May 22 2012 - 10:58:58 PDT)
- [AMBER] MM-PBSA ATP binding Alejandro Blanco (Tue May 22 2012 - 15:54:15 PDT)
- [AMBER] ammonia parameters Sajeewa Pemasinghe (Tue May 22 2012 - 16:00:56 PDT)
- [AMBER] MMPBSA.py issues marawan hussain (Tue May 22 2012 - 18:24:39 PDT)
- [AMBER] simulation with special amino acid yjzhao.wh.gmail.com (Tue May 22 2012 - 19:38:00 PDT)
- [AMBER] High Electrostatic Energy in MMPBSA analysis Khaled Barakat (Tue May 22 2012 - 19:41:29 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Tue May 22 2012 - 21:23:45 PDT)
- [AMBER] how can i introduce Zn2+ in amber Sanjib Paul (Wed May 23 2012 - 00:17:45 PDT)
- [AMBER] convert error Albert (Wed May 23 2012 - 00:38:57 PDT)
- [AMBER] how to introduce Zn2+ in amber Sanjib Paul (Wed May 23 2012 - 01:50:28 PDT)
- [AMBER] periodic box blow up kamlesh sahu (Wed May 23 2012 - 02:23:48 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Wed May 23 2012 - 05:30:31 PDT)
- [AMBER] openf90 seg-faults during compilation Fluder, Eugene (Wed May 23 2012 - 06:04:57 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Wed May 23 2012 - 06:10:18 PDT)
- [AMBER] DNA capping Mithun Biswas (Wed May 23 2012 - 07:54:03 PDT)
- [AMBER] Antechamber Atom Types Sarah Edwards (Wed May 23 2012 - 14:43:07 PDT)
- [AMBER] problem with mol2 to pdb conversion Chris Chris (Mon May 21 2012 - 20:46:04 PDT)
- [AMBER] Hydrogen bond energy calculation Aditya Padhi (Wed May 23 2012 - 20:55:35 PDT)
- Re: [AMBER] AMBER Digest, Vol 162, Issue 3 jit mukherjee (Wed May 23 2012 - 21:37:56 PDT)
- [AMBER] SIMMULATION OF CARBON NANOTUBE jit mukherjee (Wed May 23 2012 - 21:52:50 PDT)
- [AMBER] Problem in Amber11 Compilation HIMANSHU JOSHI (Wed May 23 2012 - 22:07:00 PDT)
- [AMBER] Solvation of surfactant molecules Debolina Mitra (Thu May 24 2012 - 01:19:44 PDT)
- [AMBER] Generate Gaussian file in antechamber Debolina Mitra (Thu May 24 2012 - 01:33:08 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Thu May 24 2012 - 04:00:09 PDT)
- [AMBER] Amber tools 12 and esp visualization in VMD and PyMol Sudarshan Debnath (Thu May 24 2012 - 02:30:10 PDT)
- [AMBER] large deviation on entropy value using ambertools1.5 manikanthan bhavaraju (Thu May 24 2012 - 21:30:34 PDT)
- [AMBER] Reallocation of memory space Debolina Mitra (Fri May 25 2012 - 02:39:09 PDT)
- [AMBER] AM1/D - ATP+PROTEIN Fernando Martín García (Fri May 25 2012 - 03:22:47 PDT)
- [AMBER] Problem regarding CaDA Sanjib Paul (Fri May 25 2012 - 03:30:05 PDT)
- [AMBER] manual prmtop file editing for free energy calculation Audrius Laurynėnas (Fri May 25 2012 - 04:16:42 PDT)
- [AMBER] input card for relative permittivity Bala subramanian (Fri May 25 2012 - 05:39:53 PDT)
- [AMBER] pnetcdf.h missing in compiling of ptraj.MPI Yubo Fan (Fri May 25 2012 - 13:47:06 PDT)
- [AMBER] Two Dimensional Periodic Boundary Conditions Zubin Kuvadia (Fri May 25 2012 - 14:10:01 PDT)
- [AMBER] How to calculate entropy lost upon binding? Catein Catherine (Fri May 25 2012 - 19:16:10 PDT)
- [AMBER] Saving the original position of atoms on using LEaP Francesco Pietra (Sat May 26 2012 - 07:13:12 PDT)
- [AMBER] Can AMBER do Go model? Catein Catherine (Sat May 26 2012 - 08:14:09 PDT)
- [AMBER] relaxation time kirtana S (Sat May 26 2012 - 23:59:50 PDT)
- [AMBER] Problem regarding CaDA Sanjib Paul (Sun May 27 2012 - 03:27:56 PDT)
- [AMBER] How to get a reliable RMSF value? aa aa (Sun May 27 2012 - 23:31:03 PDT)
- Re: [AMBER] Help! Assigned Bond types are wrong ashley chen (Sun May 27 2012 - 23:58:47 PDT)
- [AMBER] conformational entropy of a peptide - how to calculate with AMBER? aa aa (Mon May 28 2012 - 01:37:19 PDT)
- [AMBER] Compile Amber 12 with IBM compilers Yubo Fan (Mon May 28 2012 - 08:33:28 PDT)
- [AMBER] How to resume production phase simulation from power failure? bin wang (Mon May 28 2012 - 08:54:59 PDT)
- [AMBER] Volume fraction John S (Mon May 28 2012 - 12:36:43 PDT)
- Re: [AMBER] Help! Assigned Bond types may be wrong ashley chen (Mon May 28 2012 - 21:07:45 PDT)
- [AMBER] simmulation of carbon nanotube jit mukherjee (Mon May 28 2012 - 21:18:20 PDT)
- [AMBER] Looping over a trajectory Lee-Ping Wang (Tue May 29 2012 - 00:27:22 PDT)
- [AMBER] Can I use “-rewrite-output” option in redoing the free energy calculation Cao Yang (Tue May 29 2012 - 02:59:16 PDT)
- [AMBER] High standard deviation in entropy and decomping calculation Cao Yang (Tue May 29 2012 - 05:53:53 PDT)
- [AMBER] multi-threading cpu's or no multi-threading Jonathan Gough (Tue May 29 2012 - 15:40:05 PDT)
- [AMBER] Problem regarding simulation of bio-molecules using AMBER 9 somedatta pal (Wed May 30 2012 - 03:41:59 PDT)
- [AMBER] Trouble compiling cuda, need help. Jonathan Gough (Wed May 30 2012 - 05:25:39 PDT)
- [AMBER] problem with solute that breaks up Massimiliano Porrini (Wed May 30 2012 - 05:46:16 PDT)
- [AMBER] Amber 12 on x86_64 CentOS 5 Kevin Parkes (Wed May 30 2012 - 05:48:40 PDT)
- [AMBER] how long does cuda test usually take? Jonathan Gough (Wed May 30 2012 - 13:23:09 PDT)
- [AMBER] Cuda-enabled amber 11 installation error Rajeswari A. (Thu May 31 2012 - 00:33:04 PDT)
- [AMBER] Loading charged Peptide in tleap Thorsten Pisternick (Thu May 31 2012 - 01:52:31 PDT)
- [AMBER] ptraj Hbond analysis shradhey gupta (Thu May 31 2012 - 04:51:14 PDT)
- [AMBER] ptraj Hbond analysis shradhey gupta (Thu May 31 2012 - 06:51:00 PDT)
- [AMBER] ptraj Hbond analysis shradhey gupta (Thu May 31 2012 - 06:53:26 PDT)
- [AMBER] ptraj Hbond analysis shradhey gupta (Thu May 31 2012 - 06:55:04 PDT)
- [AMBER] mm_pbsa.pl analysis bmartini (Thu May 31 2012 - 08:52:27 PDT)
- Re: [AMBER] MMPBSA error in AmberTools 12 --- TrajError: Solvated topology 0 has IFBOX == 0 Bill Miller III (Thu May 31 2012 - 10:20:26 PDT)
- [AMBER] Ptraj and new netcdf Restart files Joshua Adelman (Thu May 31 2012 - 10:55:05 PDT)
- [AMBER] problem with running equilibration MD in an LES system Sajeewa Pemasinghe (Thu May 31 2012 - 13:39:02 PDT)
- [AMBER] Trouble calculating free energy bmartini (Thu May 31 2012 - 20:14:57 PDT)
- Re: [AMBER] cuda errors Ross Walker (Thu May 31 2012 - 21:35:26 PDT)
- Last message date: Thu May 31 2012 - 22:00:02 PDT
- Archived on: Fri Nov 22 2024 - 05:54:31 PST
