Amber Archive Jan 2014: by subject

[AMBER] "image" command with "familiar" option
- kurisaki (Thu Jan 09 2014 - 16:40:56 PST)
- Jason Swails (Thu Jan 09 2014 - 07:45:02 PST)
- kurisaki (Thu Jan 09 2014 - 01:03:13 PST)
[AMBER] Accuracy of solvation free energy calculated by 3D-RISM
- David A Case (Fri Jan 31 2014 - 05:09:10 PST)
- n.ricky0204.gmail.com (Fri Jan 31 2014 - 03:07:02 PST)
[AMBER] am1bcc method charge
- David A Case (Wed Jan 08 2014 - 05:07:07 PST)
- Zahra Khatti (Wed Jan 08 2014 - 02:44:33 PST)
[AMBER] AMBER
- Jason Swails (Wed Jan 01 2014 - 06:35:52 PST)
- Asfa Ali (Wed Jan 01 2014 - 06:23:35 PST)
[AMBER] AMBER-cis-trans conversion
- Jason Swails (Tue Jan 21 2014 - 08:13:24 PST)
- Gözde YALÇIN (Tue Jan 21 2014 - 07:19:31 PST)
[AMBER] amber12 GPU performance degrades?
- Guanglei Cui (Tue Jan 28 2014 - 12:27:32 PST)
- Jason Swails (Tue Jan 28 2014 - 11:56:10 PST)
- Guanglei Cui (Tue Jan 28 2014 - 11:21:33 PST)
- Ross Walker (Tue Jan 28 2014 - 09:03:56 PST)
- Jan-Philip Gehrcke (Tue Jan 28 2014 - 08:53:24 PST)
- Guanglei Cui (Tue Jan 28 2014 - 08:37:07 PST)
[AMBER] AmberTools vs. Amber: Installation practice subject to different licenses
- Jason Swails (Thu Jan 23 2014 - 03:46:41 PST)
- Sternberg, Michael G. (Wed Jan 22 2014 - 15:46:30 PST)
[AMBER] AmberTools vs. Amber: Installation practice subject to different licenses - Solved.
- Sternberg, Michael G. (Wed Jan 29 2014 - 11:36:54 PST)
[AMBER] ANN: MDTraj 0.5.0 Release
- Robert (Fri Jan 03 2014 - 23:19:59 PST)
[AMBER] antechamber charge method
- David A Case (Sat Jan 04 2014 - 07:27:45 PST)
- Zahra Khatti (Sat Jan 04 2014 - 06:53:53 PST)
- David A Case (Sat Jan 04 2014 - 06:40:02 PST)
- Zahra Khatti (Fri Jan 03 2014 - 22:44:52 PST)
[AMBER] antechamber charge method?
- Zahra Khatti (Sat Jan 04 2014 - 06:47:28 PST)
[AMBER] Antechamber Segmentation fault (core dumped)
- FyD (Fri Jan 17 2014 - 00:03:21 PST)
- Arun Kumar Somavarapu (Thu Jan 16 2014 - 08:42:36 PST)
- FyD (Thu Jan 16 2014 - 00:23:31 PST)
- Arun Kumar Somavarapu (Wed Jan 15 2014 - 23:03:26 PST)
- David A Case (Wed Jan 15 2014 - 08:45:10 PST)
- Arun Kumar Somavarapu (Wed Jan 15 2014 - 08:13:50 PST)
- David A Case (Mon Jan 13 2014 - 12:16:47 PST)
- Arun Kumar Somavarapu (Mon Jan 13 2014 - 10:58:30 PST)
- David A Case (Mon Jan 13 2014 - 05:10:25 PST)
- Arun Kumar Somavarapu (Sun Jan 12 2014 - 23:27:38 PST)
[AMBER] append more nucleotides to solution structure
- Vlad Cojocaru (Mon Jan 20 2014 - 11:30:39 PST)
- Asaminew Haile (Mon Jan 20 2014 - 11:17:00 PST)
- Vlad Cojocaru (Mon Jan 20 2014 - 10:53:38 PST)
- Asaminew Haile (Mon Jan 20 2014 - 10:14:12 PST)
- Vlad Cojocaru (Mon Jan 20 2014 - 09:25:34 PST)
- Asaminew Haile (Mon Jan 20 2014 - 09:09:09 PST)
[AMBER] Applying nmr restraints: Radius of gyration or COM distance for large groups of atoms
- Jason Swails (Thu Jan 09 2014 - 07:33:34 PST)
- Nihal Korkmaz (Wed Jan 08 2014 - 13:15:33 PST)
[AMBER] ATOMIC NUMBER section in prmtop file - Sustiva example
- David A Case (Fri Jan 31 2014 - 13:27:22 PST)
- James Maier (Fri Jan 31 2014 - 11:33:18 PST)
- rohitarora10.gmail.com (Fri Jan 31 2014 - 10:29:01 PST)
[AMBER] atoms with non-standard hybridization
- Ivanov, Maxim (Fri Jan 03 2014 - 11:30:25 PST)
[AMBER] binding free energy analysis
- Nitin Sharma (Wed Jan 08 2014 - 09:46:40 PST)
- Jason Swails (Wed Jan 08 2014 - 09:43:34 PST)
- Nitin Sharma (Wed Jan 08 2014 - 08:55:36 PST)
- Jason Swails (Thu Jan 02 2014 - 05:23:38 PST)
- Nitin Sharma (Thu Jan 02 2014 - 02:48:49 PST)
[AMBER] Binding free energy for two small polymers?
- X Sun (Thu Jan 02 2014 - 11:21:05 PST)
[AMBER] bondbydiatance
- Sourav Purohit (Mon Jan 06 2014 - 13:56:58 PST)
- Jason Swails (Mon Jan 06 2014 - 13:38:07 PST)
- Sourav Purohit (Mon Jan 06 2014 - 09:42:57 PST)
[AMBER] bondbydistance
- Sourav Purohit (Mon Jan 06 2014 - 09:27:00 PST)
[AMBER] Building parameter files for a zinc finger
- FyD (Sat Jan 11 2014 - 05:01:13 PST)
- Ken Merz (Sat Jan 11 2014 - 04:54:52 PST)
- Tong (Sat Jan 11 2014 - 04:03:03 PST)
- Yip Yew Mun (Sat Jan 11 2014 - 02:47:41 PST)
[AMBER] calculating MSD by correcting the center-of-mass-motion
- Vijay Manickam Achari (Mon Jan 13 2014 - 01:00:01 PST)
- Vijay Manickam Achari (Mon Jan 13 2014 - 00:59:33 PST)
- Daniel Roe (Fri Jan 10 2014 - 10:42:31 PST)
- Hannes Loeffler (Fri Jan 10 2014 - 04:02:00 PST)
- Vijay Manickam Achari (Fri Jan 10 2014 - 03:27:51 PST)
- Vijay Manickam Achari (Wed Jan 08 2014 - 19:37:22 PST)
- Daniel Roe (Wed Jan 08 2014 - 08:23:08 PST)
- Vijay Manickam Achari (Tue Jan 07 2014 - 23:45:07 PST)
[AMBER] Calculating the bending angle of a DNA sequence
- #YIP YEW MUN# (Tue Jan 07 2014 - 00:16:02 PST)
- ros (Mon Jan 06 2014 - 06:46:29 PST)
- Yip Yew Mun (Mon Jan 06 2014 - 01:55:32 PST)
[AMBER] Can we solvate the box with ligand
- David A Case (Fri Jan 24 2014 - 07:57:48 PST)
- Ayesha Fatima (Thu Jan 23 2014 - 23:42:26 PST)
[AMBER] Charge calculation methods for RED server
- FyD (Fri Jan 10 2014 - 00:04:11 PST)
- FyD (Thu Jan 09 2014 - 23:55:37 PST)
- Ken Merz (Thu Jan 09 2014 - 12:18:36 PST)
- FyD (Thu Jan 09 2014 - 12:12:55 PST)
- FyD (Thu Jan 09 2014 - 12:05:58 PST)
- Ken Merz (Wed Jan 08 2014 - 10:08:32 PST)
- Yip Yew Mun (Wed Jan 08 2014 - 01:56:04 PST)
[AMBER] checkpoint on Amber within batch job
- David A Case (Thu Jan 23 2014 - 12:22:16 PST)
- Ross Walker (Thu Jan 23 2014 - 09:38:04 PST)
- Zhuang, Yu (Thu Jan 23 2014 - 07:54:25 PST)
- Daniel Roe (Thu Jan 23 2014 - 07:11:33 PST)
- James Maier (Thu Jan 23 2014 - 06:54:47 PST)
- Jason Swails (Thu Jan 23 2014 - 06:54:55 PST)
- Zhuang, Yu (Thu Jan 23 2014 - 05:57:44 PST)
- Jason Swails (Thu Jan 23 2014 - 05:43:58 PST)
- Zhuang, Yu (Thu Jan 23 2014 - 05:33:53 PST)
[AMBER] Compiling Amber 12 using IBM XL compilers - fixed versus free format Fortran
- Ben Roberts (Mon Jan 27 2014 - 19:32:35 PST)
- Jason Swails (Tue Jan 21 2014 - 19:56:34 PST)
- Ben Roberts (Tue Jan 21 2014 - 17:49:10 PST)
[AMBER] continuing runs with latest patched AMBER
- Ross Walker (Fri Jan 31 2014 - 09:46:05 PST)
- Jio M (Fri Jan 31 2014 - 09:24:26 PST)
[AMBER] Converting DL_POLY OPLS dihedral ff function to AMBER format
- David A Case (Tue Jan 14 2014 - 05:39:18 PST)
- Parker, Qamreen (Tue Jan 14 2014 - 02:06:37 PST)
[AMBER] correct way of imaging for rdf
- Jio M (Thu Jan 23 2014 - 12:22:31 PST)
- Daniel Roe (Thu Jan 23 2014 - 10:44:04 PST)
- Jio M (Thu Jan 23 2014 - 10:05:26 PST)
- Daniel Roe (Thu Jan 23 2014 - 09:27:11 PST)
- Jio M (Thu Jan 23 2014 - 08:52:33 PST)
- Daniel Roe (Thu Jan 23 2014 - 08:28:22 PST)
- Jio M (Thu Jan 23 2014 - 08:06:19 PST)
[AMBER] cpptraj density routine
- Daniel Roe (Wed Jan 22 2014 - 13:17:23 PST)
- Dickson, Callum J (Wed Jan 15 2014 - 07:01:14 PST)
[AMBER] Creating a restart file from a trajectory file
- David A Case (Tue Jan 21 2014 - 04:42:12 PST)
- Ahmed Ayoub (Tue Jan 21 2014 - 00:45:49 PST)
[AMBER] Creating an frcmod file for zinc finger
- Yip Yew Mun (Sat Jan 11 2014 - 04:08:26 PST)
[AMBER] Creating Non-canonical Structures in NAB
- David A Case (Tue Jan 28 2014 - 05:11:51 PST)
- Robyn Ayscue (Sun Jan 26 2014 - 20:07:24 PST)
[AMBER] cuda job not working
- Daniel Roe (Sat Jan 04 2014 - 10:14:47 PST)
- Jio M (Sat Jan 04 2014 - 07:59:41 PST)
- Jio M (Sat Jan 04 2014 - 07:00:07 PST)
- Daniel Roe (Fri Jan 03 2014 - 20:37:41 PST)
- Jio M (Fri Jan 03 2014 - 16:16:00 PST)
- Jio M (Fri Jan 03 2014 - 15:26:46 PST)
[AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
- filip fratev (Thu Jan 30 2014 - 08:32:55 PST)
- Ross Walker (Mon Jan 13 2014 - 13:28:41 PST)
- filip fratev (Mon Jan 13 2014 - 13:18:56 PST)
- filip fratev (Sat Jan 11 2014 - 13:27:04 PST)
- filip fratev (Sat Jan 11 2014 - 06:58:37 PST)
- Ross Walker (Fri Jan 10 2014 - 07:36:03 PST)
- filip fratev (Fri Jan 10 2014 - 03:13:44 PST)
- filip fratev (Fri Jan 10 2014 - 01:48:49 PST)
[AMBER] Current system recommendations
- Ase (Wed Jan 22 2014 - 15:10:18 PST)
- Jonathan Sheehan (Wed Jan 22 2014 - 04:48:31 PST)
- Jason Swails (Tue Jan 21 2014 - 15:21:37 PST)
- Jonathan Sheehan (Tue Jan 21 2014 - 14:06:23 PST)
[AMBER] Dynamics with R_OF_GYRATION
- David A Case (Wed Jan 08 2014 - 15:09:21 PST)
- Nihal Korkmaz (Sat Jan 04 2014 - 20:42:09 PST)
[AMBER] effect of born radii on the binding energies of a protein-ligand system
- Manikanthan Bhavaraju (Fri Jan 24 2014 - 12:58:06 PST)
[AMBER] enquiry regarding latest Amber
- Divi/GMAIL (Sat Jan 25 2014 - 10:14:55 PST)
- Ved Prakash (Sat Jan 25 2014 - 08:14:48 PST)
[AMBER] Error generating prmtop file for protein with NAD+
- Prema Mallipeddi (Fri Jan 24 2014 - 13:43:16 PST)
[AMBER] error in naming list problem
- David A Case (Mon Jan 20 2014 - 04:36:59 PST)
- Jason Swails (Mon Jan 20 2014 - 04:29:08 PST)
- Ross Walker (Sun Jan 19 2014 - 21:44:25 PST)
- Sushi Shilpa (Sun Jan 19 2014 - 20:21:22 PST)
[AMBER] Error Nmode entropy calculation
- Nitin Sharma (Sun Jan 12 2014 - 20:02:56 PST)
- Jason Swails (Thu Jan 09 2014 - 08:10:22 PST)
- Nitin Sharma (Thu Jan 09 2014 - 07:58:01 PST)
- Jason Swails (Thu Jan 09 2014 - 07:37:47 PST)
- Nitin Sharma (Wed Jan 08 2014 - 22:39:33 PST)
[AMBER] Error with cpptraj strip and MMGBSA.py
- Jason Swails (Mon Jan 06 2014 - 17:50:10 PST)
- Daniel Roe (Mon Jan 06 2014 - 12:46:14 PST)
- Jason Swails (Mon Jan 06 2014 - 12:45:38 PST)
- Brian Radak (Mon Jan 06 2014 - 12:28:57 PST)
[AMBER] Explicit solvent constant pH simulation
- Jason Swails (Fri Jan 31 2014 - 05:10:37 PST)
- Thomas Evangelidis (Fri Jan 31 2014 - 03:58:21 PST)
- Logan Ahlstrom (Mon Jan 27 2014 - 08:44:10 PST)
- Adrian Roitberg (Mon Jan 27 2014 - 08:42:12 PST)
- Logan Ahlstrom (Mon Jan 27 2014 - 08:40:04 PST)
[AMBER] fluctuation of pressure during MD
- Zhuang, Yu (Thu Jan 23 2014 - 00:11:58 PST)
- Jason Swails (Wed Jan 22 2014 - 06:58:14 PST)
- Zhuang, Yu (Wed Jan 22 2014 - 00:53:45 PST)
[AMBER] Free energy workshop in May, 2014
- David A Case (Fri Jan 17 2014 - 15:21:07 PST)
[AMBER] fun with units?
- Brian Radak (Tue Jan 28 2014 - 08:02:52 PST)
- Jason Swails (Tue Jan 28 2014 - 07:57:54 PST)
- Brian Radak (Tue Jan 28 2014 - 06:43:19 PST)
[AMBER] Fwd: amber
- Jorgen Simonsen (Fri Jan 31 2014 - 21:25:38 PST)
[AMBER] Fwd: bondbydistance
- Sourav Purohit (Mon Jan 06 2014 - 09:28:59 PST)
[AMBER] GTX 780: 8 file comparisons failed
- de Waal, Parker (Thu Jan 30 2014 - 16:16:23 PST)
- Ross Walker (Thu Jan 30 2014 - 15:53:27 PST)
- de Waal, Parker (Thu Jan 30 2014 - 15:36:47 PST)
[AMBER] Has anyone tested to newer nvidia drivers for linux?
- Julio Dominguez (Wed Jan 29 2014 - 12:09:52 PST)
- Jan-Philip Gehrcke (Wed Jan 29 2014 - 08:45:14 PST)
- Ross Walker (Wed Jan 29 2014 - 08:28:33 PST)
- Matthew Wampole (Wed Jan 29 2014 - 07:43:12 PST)
[AMBER] how to calculate diffusion coefficient ?
- Daniel Roe (Wed Jan 22 2014 - 13:46:31 PST)
- Sohag Biswas (Tue Dec 31 2013 - 19:31:06 PST)
[AMBER] How to generate boron atom paramaters?
- Vaibhav Dixit (Sun Jan 12 2014 - 02:44:24 PST)
- FyD (Sun Jan 12 2014 - 00:57:42 PST)
- Vaibhav Dixit (Sat Jan 11 2014 - 22:54:13 PST)
- FyD (Sat Jan 11 2014 - 00:12:42 PST)
- Ken Merz (Fri Jan 10 2014 - 13:52:34 PST)
- Mengyuan Zhu (Fri Jan 10 2014 - 13:40:40 PST)
- Ken Merz (Fri Jan 10 2014 - 12:57:59 PST)
- Mengyuan Zhu (Fri Jan 10 2014 - 12:32:44 PST)
- David A Case (Fri Jan 10 2014 - 12:09:49 PST)
- Mengyuan Zhu (Fri Jan 10 2014 - 08:15:32 PST)
[AMBER] How to make a nonequilibrium molecular dynamics on an external force field like electromagnetic or microwave?
- Jason Swails (Sun Jan 26 2014 - 07:03:44 PST)
- 张明焜 (Sun Jan 26 2014 - 01:18:18 PST)
- 张明焜 (Thu Jan 16 2014 - 18:06:07 PST)
[AMBER] IGB doubt
- James Maier (Wed Jan 15 2014 - 20:14:59 PST)
- Sushi Shilpa (Wed Jan 15 2014 - 20:06:00 PST)
[AMBER] Indentified the cause - Error generating prmtop file for protein with NAD+
- Prema Mallipeddi (Mon Jan 27 2014 - 11:10:10 PST)
[AMBER] input preparation
- David A Case (Tue Jan 28 2014 - 04:50:50 PST)
- esther nehu (Tue Jan 28 2014 - 04:00:41 PST)
- David A Case (Sat Jan 25 2014 - 06:31:44 PST)
- esther nehu (Sat Jan 25 2014 - 03:56:43 PST)
- Jason Swails (Thu Jan 23 2014 - 05:08:53 PST)
- esther nehu (Thu Jan 23 2014 - 04:49:13 PST)
[AMBER] internal energy in TI decomposition
- Jason Swails (Tue Jan 28 2014 - 04:01:24 PST)
- Schackert Nico (Tue Jan 28 2014 - 01:18:51 PST)
- Schackert Nico (Mon Jan 27 2014 - 07:13:28 PST)
[AMBER] ionic liquid simulation
- David A Case (Sun Jan 12 2014 - 10:57:50 PST)
- Saeed Nasiri (Sun Jan 12 2014 - 09:24:16 PST)
[AMBER] Is the RMSD using ptraj normalized with respect to residues ??
- David A Case (Thu Jan 09 2014 - 04:42:19 PST)
- Himanshu Joshi (Wed Jan 08 2014 - 20:25:14 PST)
[AMBER] iwrap=1 or netcdf
- Marek Maly (Thu Jan 16 2014 - 09:59:55 PST)
- Jio M (Thu Jan 16 2014 - 09:55:20 PST)
- Marek Maly (Thu Jan 16 2014 - 09:43:46 PST)
- Jio M (Thu Jan 16 2014 - 09:01:23 PST)
- Marek Maly (Thu Jan 16 2014 - 08:52:06 PST)
- Jio M (Thu Jan 16 2014 - 01:46:20 PST)
- Marek Maly (Wed Jan 15 2014 - 09:17:35 PST)
- Marek Maly (Wed Jan 15 2014 - 09:00:38 PST)
- Jio M (Wed Jan 15 2014 - 08:28:49 PST)
- Jason Swails (Wed Jan 15 2014 - 08:12:35 PST)
- Marek Maly (Tue Jan 14 2014 - 08:35:22 PST)
- Daniel Roe (Tue Jan 14 2014 - 07:55:02 PST)
- Jio M (Tue Jan 14 2014 - 07:41:21 PST)
- Daniel Roe (Tue Jan 14 2014 - 07:31:02 PST)
- Jio M (Tue Jan 14 2014 - 05:10:13 PST)
[AMBER] Langevin Dynamics on selected atoms?
- Jose Borreguero (Fri Jan 03 2014 - 08:08:03 PST)
- Adrian Roitberg (Fri Jan 03 2014 - 07:52:29 PST)
- Jose Borreguero (Fri Jan 03 2014 - 07:46:07 PST)
- Jason Swails (Thu Jan 02 2014 - 21:34:14 PST)
- Jose Borreguero (Thu Jan 02 2014 - 12:21:41 PST)
[AMBER] makeDIST command disfuntion
- Jan Zalesak (Tue Jan 14 2014 - 03:06:01 PST)
- David A Case (Mon Jan 13 2014 - 18:16:24 PST)
- Jan Zalesak (Mon Jan 13 2014 - 12:10:26 PST)
[AMBER] MMPBSA
- Jason Swails (Fri Jan 24 2014 - 13:05:05 PST)
- Carlos Simmerling (Fri Jan 24 2014 - 12:03:22 PST)
- bharat lakhani (Fri Jan 24 2014 - 11:24:29 PST)
[AMBER] Modelling stereochemical molecule with "R" and "S" type.
- Vijay Manickam Achari (Thu Jan 09 2014 - 21:44:06 PST)
- Vijay Manickam Achari (Thu Jan 09 2014 - 21:43:08 PST)
- FyD (Thu Jan 09 2014 - 12:28:41 PST)
- Daniel Roe (Thu Jan 09 2014 - 08:57:22 PST)
- Vijay Manickam Achari (Wed Jan 08 2014 - 19:48:28 PST)
[AMBER] mpi-pmemd
- Daniel Roe (Fri Jan 24 2014 - 07:02:38 PST)
- Saeed Nasiri (Fri Jan 24 2014 - 01:00:07 PST)
[AMBER] no output file when running espgen
- FyD (Sun Jan 26 2014 - 07:00:42 PST)
- Kim TaeHwan (Sun Jan 26 2014 - 00:47:00 PST)
[AMBER] not reading a second dihedral term in frcmod
- Allen, Scott Edward (Mon Jan 06 2014 - 12:14:56 PST)
- Allen, Scott Edward (Mon Jan 06 2014 - 10:05:05 PST)
- Jason Swails (Mon Jan 06 2014 - 09:32:59 PST)
- Allen, Scott Edward (Sun Jan 05 2014 - 16:52:45 PST)
[AMBER] Number of cores for a parallel job
- Hannes Loeffler (Tue Jan 28 2014 - 05:03:38 PST)
- David A Case (Tue Jan 28 2014 - 04:55:18 PST)
- FyD (Tue Jan 28 2014 - 04:29:01 PST)
[AMBER] optimise ligand geomatry before MD
- Karl Kirschner (Wed Jan 29 2014 - 01:13:53 PST)
- Nitin Sharma (Tue Jan 28 2014 - 10:44:53 PST)
[AMBER] order params
- Jio M (Fri Jan 17 2014 - 08:16:34 PST)
[AMBER] Oscillating electric fields
- Brian Radak (Wed Jan 22 2014 - 08:05:02 PST)
- Jason Swails (Wed Jan 22 2014 - 07:15:18 PST)
- Bernhard Reuter (Wed Jan 22 2014 - 04:10:32 PST)
[AMBER] OSX Mavericks: Failure in parallel installation of Amber12
- David A Case (Tue Jan 28 2014 - 18:39:25 PST)
- Jason Swails (Tue Jan 28 2014 - 12:06:52 PST)
- Robyn Ayscue (Tue Jan 28 2014 - 10:53:43 PST)
- David Case (Mon Jan 06 2014 - 19:41:07 PST)
- Julio Dominguez (Mon Jan 06 2014 - 18:46:05 PST)
- David A Case (Sat Jan 04 2014 - 14:57:01 PST)
- George Tzotzos (Sat Jan 04 2014 - 10:40:42 PST)
- case (Fri Jan 03 2014 - 11:03:03 PST)
- George Tzotzos (Fri Jan 03 2014 - 03:13:18 PST)
[AMBER] output of radius of gyration
- Zhuang, Yu (Mon Jan 20 2014 - 23:58:27 PST)
- Daniel Roe (Mon Jan 20 2014 - 08:56:55 PST)
- Zhuang, Yu (Mon Jan 20 2014 - 06:01:48 PST)
- Jason Swails (Mon Jan 20 2014 - 04:31:19 PST)
- Zhuang, Yu (Mon Jan 20 2014 - 03:13:00 PST)
[AMBER] parameters from frcmod not overwriting gaff.dat
- David A Case (Thu Jan 09 2014 - 04:56:21 PST)
- Allen, Scott Edward (Tue Jan 07 2014 - 09:11:24 PST)
[AMBER] PCA/ essential dynamics
- wmsmith.uci.edu (Tue Jan 07 2014 - 10:50:46 PST)
- George Tzotzos (Tue Jan 07 2014 - 08:14:33 PST)
- Andre C. Stiel (Tue Jan 07 2014 - 06:53:55 PST)
[AMBER] PIMD_pure_QM_EXTERN
- Andreas Goetz (Fri Jan 24 2014 - 17:15:24 PST)
- Jason Swails (Fri Jan 24 2014 - 13:02:35 PST)
- Andreas Goetz (Fri Jan 24 2014 - 10:27:14 PST)
- David A Case (Thu Jan 23 2014 - 12:22:08 PST)
- Jason Swails (Thu Jan 23 2014 - 05:21:40 PST)
- Jheng Wei Li (Wed Jan 22 2014 - 23:54:35 PST)
[AMBER] polymers interaction
- David A Case (Mon Jan 13 2014 - 05:28:26 PST)
- Zhuang, Yu (Mon Jan 13 2014 - 04:58:32 PST)
[AMBER] Prep file is empty
- DEBOSTUTI GHOSHDASTIDAR (Thu Jan 30 2014 - 19:47:22 PST)
- David A Case (Thu Jan 30 2014 - 04:59:08 PST)
- FyD (Wed Jan 29 2014 - 23:21:22 PST)
- DEBOSTUTI GHOSHDASTIDAR (Wed Jan 29 2014 - 20:50:13 PST)
- David A Case (Wed Jan 29 2014 - 07:27:40 PST)
- DEBOSTUTI GHOSHDASTIDAR (Wed Jan 29 2014 - 06:07:14 PST)
[AMBER] Problem when calculating MMPBSA
- Jason Swails (Tue Jan 21 2014 - 20:04:35 PST)
- dongying0512 (Tue Jan 21 2014 - 18:31:54 PST)
[AMBER] Problem when calculating MMPBSA (Jason Swails)
- Jason Swails (Thu Jan 09 2014 - 11:47:28 PST)
[AMBER] Problems on IRED analyses for order parameter
- Ye Wei (Mon Jan 13 2014 - 05:14:42 PST)
- David A Case (Mon Jan 13 2014 - 05:02:56 PST)
- Ye Wei (Sun Jan 12 2014 - 20:29:30 PST)
- David A Case (Sun Jan 12 2014 - 10:52:24 PST)
- Ye Wei (Sun Jan 12 2014 - 06:37:33 PST)
[AMBER] Problems with MM_GBSA
- Jason Swails (Fri Jan 31 2014 - 09:09:55 PST)
- Daniel Roe (Fri Jan 31 2014 - 08:12:23 PST)
- Joachim Stump (Fri Jan 31 2014 - 05:18:31 PST)
[AMBER] Ptraj's "NO ATOMS DETECTED" problem
- David A Case (Sat Jan 25 2014 - 06:28:31 PST)
- #YIP YEW MUN# (Fri Jan 24 2014 - 23:14:12 PST)
- David A Case (Fri Jan 24 2014 - 18:08:33 PST)
- Yip Yew Mun (Fri Jan 24 2014 - 17:36:17 PST)
[AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
- Brian Radak (Tue Jan 14 2014 - 06:41:28 PST)
- Kanin Wichapong (Tue Jan 14 2014 - 06:24:47 PST)
[AMBER] Query about next amber release
- David A Case (Wed Jan 15 2014 - 07:35:37 PST)
- Kshatresh Dutta Dubey (Wed Jan 15 2014 - 05:42:40 PST)
- David A Case (Wed Jan 15 2014 - 05:23:45 PST)
- Kshatresh Dutta Dubey (Wed Jan 15 2014 - 03:20:47 PST)
[AMBER] question
- . mirage (Wed Jan 29 2014 - 06:39:13 PST)
- Jason Swails (Wed Jan 29 2014 - 05:37:08 PST)
- . mirage (Wed Jan 29 2014 - 04:53:28 PST)
- . mirage (Mon Jan 27 2014 - 05:04:23 PST)
- Ross Walker (Tue Jan 21 2014 - 19:01:28 PST)
- Ben Roberts (Tue Jan 21 2014 - 18:03:50 PST)
- Eric Smoll (Tue Jan 21 2014 - 15:26:39 PST)
[AMBER] question for pre-treat protein model
- Jason Swails (Wed Jan 15 2014 - 08:04:22 PST)
- Zhuang, Yu (Wed Jan 15 2014 - 07:07:19 PST)
- 126 (Wed Jan 15 2014 - 06:51:19 PST)
- Zhuang, Yu (Wed Jan 15 2014 - 06:42:41 PST)
- Ye Wei (Wed Jan 15 2014 - 06:25:12 PST)
- Zhuang, Yu (Wed Jan 15 2014 - 06:17:27 PST)
[AMBER] question on how to keep the protein coordinate when adding solvateoct in xleap
- 肖立 (Mon Jan 20 2014 - 15:37:56 PST)
- 肖立 (Mon Jan 20 2014 - 15:37:24 PST)
- James Maier (Mon Jan 20 2014 - 12:37:48 PST)
- Kevin Hauser (Sun Jan 19 2014 - 22:11:08 PST)
- 肖立 (Wed Jan 15 2014 - 21:56:18 PST)
- Kevin Hauser (Wed Jan 15 2014 - 19:07:52 PST)
- 肖立 (Wed Jan 15 2014 - 15:24:36 PST)
- Jio M (Wed Jan 15 2014 - 15:17:27 PST)
- 肖立 (Wed Jan 15 2014 - 14:53:22 PST)
- 肖立 (Wed Jan 15 2014 - 14:06:50 PST)
- David A Case (Wed Jan 15 2014 - 14:04:22 PST)
- 肖立 (Wed Jan 15 2014 - 13:30:52 PST)
- Kevin Hauser (Wed Jan 15 2014 - 12:21:55 PST)
- 肖立 (Wed Jan 15 2014 - 11:51:14 PST)
- James Maier (Wed Jan 15 2014 - 11:29:55 PST)
- 肖立 (Wed Jan 15 2014 - 11:24:36 PST)
[AMBER] R.E.D, alkene isostere, Gly-Pro, P9501
- Cecilia Lindgren (Sun Jan 12 2014 - 23:57:36 PST)
- Fan Wang (Fri Jan 10 2014 - 07:25:44 PST)
- FyD (Fri Jan 10 2014 - 05:36:34 PST)
- FyD (Thu Jan 09 2014 - 23:38:04 PST)
- Cecilia Lindgren (Thu Jan 09 2014 - 02:28:40 PST)
[AMBER] RE : Antechamber Segmentation fault (core dumped)
- ABEL Stephane 175950 (Mon Jan 13 2014 - 12:20:45 PST)
[AMBER] Release of FESetup 1.0
- Hannes Loeffler (Thu Jan 23 2014 - 03:03:17 PST)
[AMBER] REMD on one GPU
- Ross Walker (Fri Jan 24 2014 - 14:02:22 PST)
- Milo Westler (Fri Jan 24 2014 - 13:55:35 PST)
- Ross Walker (Fri Jan 24 2014 - 13:51:19 PST)
- Milo Westler (Fri Jan 24 2014 - 13:28:17 PST)
[AMBER] request for help
- Daniel Roe (Sat Jan 11 2014 - 16:14:33 PST)
- Robin Jain (Sat Jan 11 2014 - 00:54:36 PST)
[AMBER] request for help in radial command
- Jason Swails (Thu Jan 02 2014 - 06:04:06 PST)
- Robin Jain (Thu Jan 02 2014 - 00:42:29 PST)
[AMBER] request for help me in hydrogen bond analysis
- Jason Swails (Mon Jan 13 2014 - 04:42:42 PST)
- Robin Jain (Mon Jan 13 2014 - 00:28:37 PST)
[AMBER] request to unsubscribe from the amber mailing list
- Jason Swails (Fri Jan 24 2014 - 20:37:00 PST)
- Su, Shiquan (Fri Jan 24 2014 - 17:43:22 PST)
[AMBER] restart for second time
- Jason Swails (Sat Jan 11 2014 - 21:38:59 PST)
- Saeed Nasiri (Sat Jan 11 2014 - 21:26:46 PST)
- David A Case (Fri Jan 10 2014 - 12:26:59 PST)
- Saeed Nasiri (Fri Jan 10 2014 - 11:07:43 PST)
[AMBER] restart MD
- Saeed Nasiri (Thu Jan 23 2014 - 03:33:47 PST)
- Daniel Roe (Mon Jan 20 2014 - 17:05:17 PST)
- Saeed Nasiri (Mon Jan 20 2014 - 12:42:30 PST)
[AMBER] restarting the MD
- David A Case (Mon Jan 13 2014 - 05:06:40 PST)
- Saeed Nasiri (Sun Jan 12 2014 - 22:54:07 PST)
[AMBER] RMSD vs RMSF vs nofit-RMSD
- Nitin Sharma (Wed Jan 01 2014 - 02:51:27 PST)
[AMBER] rmsd with fit
- Daniel Roe (Mon Jan 20 2014 - 19:08:33 PST)
- Jio M (Mon Jan 20 2014 - 17:34:23 PST)
- Daniel Roe (Mon Jan 20 2014 - 16:49:22 PST)
- 126 (Mon Jan 20 2014 - 15:57:06 PST)
- Jio M (Mon Jan 20 2014 - 15:46:46 PST)
[AMBER] simulation output
- Jason Swails (Thu Jan 23 2014 - 03:52:57 PST)
- Saeed Nasiri (Wed Jan 22 2014 - 22:56:06 PST)
[AMBER] SPAM: A Simple Approach for Profiling Bound Water Molecules
- Guanglei Cui (Fri Jan 24 2014 - 07:27:53 PST)
- Sergey Samsonov (Fri Jan 24 2014 - 06:54:48 PST)
- Jason Swails (Fri Jan 24 2014 - 05:47:17 PST)
- Sergey Samsonov (Fri Jan 24 2014 - 02:06:42 PST)
- Jason Swails (Thu Jan 23 2014 - 10:04:34 PST)
- Sergey Samsonov (Thu Jan 23 2014 - 05:57:18 PST)
[AMBER] SQM seems to run out of memory?
- case (Thu Jan 02 2014 - 05:17:54 PST)
- FyD (Thu Jan 02 2014 - 00:22:21 PST)
- Alan (Wed Jan 01 2014 - 13:21:15 PST)
- Jonathan Saboury (Wed Jan 01 2014 - 12:51:57 PST)
[AMBER] standard for atomic fluctioantion
- Nitin Sharma (Sun Jan 05 2014 - 10:39:35 PST)
- Daniel Roe (Sun Jan 05 2014 - 10:28:00 PST)
- Nitin Sharma (Sun Jan 05 2014 - 04:47:17 PST)
- Daniel Roe (Sat Jan 04 2014 - 10:34:53 PST)
- Nitin Sharma (Sat Jan 04 2014 - 09:09:42 PST)
[AMBER] status of the Amber lipid framework?
- Jio M (Fri Jan 31 2014 - 09:40:14 PST)
- Dickson, Callum J (Fri Jan 31 2014 - 09:12:40 PST)
- Ross Walker (Fri Jan 31 2014 - 09:04:14 PST)
- Jio M (Fri Jan 31 2014 - 07:11:09 PST)
- Jason Swails (Fri Jan 31 2014 - 06:57:13 PST)
- Jio M (Fri Jan 31 2014 - 06:43:39 PST)
- Jason Swails (Fri Jan 31 2014 - 06:26:53 PST)
- Jio M (Fri Jan 31 2014 - 06:00:24 PST)
- Ross Walker (Thu Jan 30 2014 - 11:27:49 PST)
- Igor Marques (Fri Jan 24 2014 - 09:12:33 PST)
[AMBER] stfcdiffusion error
- Daniel Roe (Wed Jan 22 2014 - 13:32:36 PST)
- Diego de paula (Wed Jan 15 2014 - 18:43:46 PST)
[AMBER] tracking ions in protein channel
- Jio M (Mon Jan 27 2014 - 06:15:38 PST)
[AMBER] Unable to read coords from rst
- Jason Swails (Mon Jan 27 2014 - 01:47:59 PST)
- Yip Yew Mun (Sun Jan 26 2014 - 19:04:39 PST)
[AMBER] Utility to compute the auto-correlation function for a dihedral angle?
- Jose Borreguero (Thu Jan 09 2014 - 16:58:50 PST)
- Daniel Roe (Thu Jan 09 2014 - 14:55:41 PST)
- Jose Borreguero (Thu Jan 09 2014 - 12:02:19 PST)
[AMBER] Visualisation of metal ions ligand after tleap
- FyD (Thu Jan 09 2014 - 12:23:00 PST)
- David A Case (Thu Jan 09 2014 - 04:48:39 PST)
- Mahendra B Thapa (Wed Jan 08 2014 - 12:42:02 PST)
[AMBER] VMD lipid in AMBER
- Benjamin Madej (Fri Jan 31 2014 - 12:27:44 PST)
- Rejwan (Fri Jan 31 2014 - 11:40:21 PST)
Prep file is empty
- FyD (Wed Jan 29 2014 - 23:25:21 PST)

Amber Archive Jan 2014 by subject