Amber Archive Jul 2011: by subject

[AMBER-Developers] [AMBER] Antechamber trouble with COA-acyl chain
- David A Case (Wed Jul 13 2011 - 11:10:44 PDT)
[AMBER] (NAB issue) wc_helix : Problem in creating RNA structures
- case (Fri Jul 29 2011 - 07:32:07 PDT)
- Anjan Dwaraknath (Wed Jul 27 2011 - 03:56:58 PDT)
- Anjan Dwaraknath (Wed Jul 27 2011 - 03:03:52 PDT)
[AMBER] /bin/sh /bin/dash
- Francesco Pietra (Sat Jul 02 2011 - 23:11:21 PDT)
- Jason Swails (Sat Jul 02 2011 - 12:26:25 PDT)
- Francesco Pietra (Sat Jul 02 2011 - 10:08:30 PDT)
[AMBER] /dat/slko DFTB files
- Gustavo Seabra (Sun Jul 17 2011 - 20:48:20 PDT)
- Somaye Badieyan (Sun Jul 17 2011 - 15:38:24 PDT)
[AMBER] About extracting partial atoms from a Amber trajectory file
- Carlos Simmerling (Sun Jul 10 2011 - 08:53:17 PDT)
- Mo Chen (Sun Jul 10 2011 - 08:47:59 PDT)
[AMBER] About visualizing amber trajectory (periodic box) in VMD
- Adrian Roitberg (Tue Jul 05 2011 - 11:12:40 PDT)
- Mo Chen (Tue Jul 05 2011 - 11:08:11 PDT)
[AMBER] adiabatic conformational map of carbohydrates
- Neha Gandhi (Wed Jul 20 2011 - 00:34:42 PDT)
[AMBER] Ala double mutation scans
- Jesper Sørensen (Tue Jul 12 2011 - 04:36:27 PDT)
- Dwight McGee (Mon Jul 11 2011 - 10:36:58 PDT)
- Jesper Sørensen (Sun Jul 10 2011 - 06:02:27 PDT)
- Jason Swails (Sat Jul 09 2011 - 07:58:12 PDT)
- Jesper Sørensen (Fri Jul 08 2011 - 00:24:42 PDT)
- Dwight McGee (Wed Jul 06 2011 - 08:01:18 PDT)
- Jesper Sørensen (Wed Jul 06 2011 - 01:27:35 PDT)
[AMBER] alpha 2-3 Sialyllactose in GLYCAM
- Oliver Grant (Thu Jul 28 2011 - 02:57:27 PDT)
- mish (Thu Jul 28 2011 - 02:29:40 PDT)
[AMBER] alpha 2-3 Sialyllactose in GLYCAM,
- Dean Cuebas (Sat Jul 30 2011 - 15:58:53 PDT)
- Matthew Tessier (Fri Jul 29 2011 - 05:47:12 PDT)
- mish (Fri Jul 29 2011 - 01:06:48 PDT)
- Matthew Tessier (Thu Jul 28 2011 - 11:13:10 PDT)
[AMBER] AMBER
- Daniel Roe (Mon Jul 11 2011 - 04:17:17 PDT)
- Shesh Nath (Sun Jul 10 2011 - 23:20:04 PDT)
- David A Case (Wed Jul 06 2011 - 04:40:42 PDT)
- Shesh Nath (Tue Jul 05 2011 - 23:36:20 PDT)
- manikanthan bhavaraju (Mon Jul 04 2011 - 11:47:37 PDT)
- case (Mon Jul 04 2011 - 06:05:12 PDT)
- Shesh Nath (Mon Jul 04 2011 - 03:08:34 PDT)
[AMBER] Amber help
- Adrian Roitberg (Thu Jul 07 2011 - 08:01:11 PDT)
- RUI_YAO (Thu Jul 07 2011 - 07:59:56 PDT)
[AMBER] Amber test failure
- peter.stauffert.boehringer-ingelheim.com (Wed Jul 20 2011 - 00:06:40 PDT)
- haris p (Tue Jul 19 2011 - 23:41:33 PDT)
[AMBER] AMBER/sander parallel performance problem
- Jyh-Shyong (Thu Jul 28 2011 - 17:57:06 PDT)
- Jyh-Shyong (Thu Jul 28 2011 - 19:15:03 PDT)
- Ross Walker (Thu Jul 28 2011 - 17:29:10 PDT)
- Niel Henriksen (Thu Jul 28 2011 - 17:18:43 PDT)
- case (Thu Jul 28 2011 - 17:18:43 PDT)
- Niel Henriksen (Thu Jul 28 2011 - 17:16:49 PDT)
- Jyh-Shyong (Thu Jul 28 2011 - 17:00:27 PDT)
[AMBER] AMBER10 pimd failure on =>16 cores
- Andrew Petersen (Wed Jul 27 2011 - 14:22:02 PDT)
[AMBER] Amber11
- Ross Walker (Wed Jul 06 2011 - 08:28:31 PDT)
- Roy Lee (Tue Jul 05 2011 - 20:02:54 PDT)
[AMBER] amber11 forcefield
- Roy Lee (Mon Jul 25 2011 - 02:13:34 PDT)
[AMBER] amber11 openmpi installation problem
- mish (Tue Jul 05 2011 - 09:19:47 PDT)
[AMBER] Amber11 Tests fail
- Jason Swails (Wed Jul 20 2011 - 13:52:09 PDT)
- Mengjuei Hsieh (Wed Jul 20 2011 - 12:54:53 PDT)
- David A Case (Wed Jul 20 2011 - 12:50:20 PDT)
- peter.stauffert.boehringer-ingelheim.com (Wed Jul 20 2011 - 11:41:39 PDT)
[AMBER] Amber11 using MPICH (parallel install problem)
- Jason Swails (Thu Jul 07 2011 - 07:27:10 PDT)
- M. Shahid (Thu Jul 07 2011 - 07:15:25 PDT)
- mish (Thu Jul 07 2011 - 07:08:39 PDT)
- David A Case (Wed Jul 06 2011 - 12:36:13 PDT)
- Ross Walker (Wed Jul 06 2011 - 11:32:25 PDT)
- mish (Wed Jul 06 2011 - 11:21:35 PDT)
[AMBER] AMBER9- error in LEaP while learning MMPBSA tutorial
- Sheau Chen Lee (Thu Jun 30 2011 - 20:41:51 PDT)
[AMBER] Amber_CygWin_installation
- Daniel Roe (Wed Jul 20 2011 - 04:01:38 PDT)
- Carmen Di Giovanni (Wed Jul 20 2011 - 01:35:11 PDT)
[AMBER] AmberTools
- manikanthan bhavaraju (Tue Jul 12 2011 - 11:52:21 PDT)
- Dwight McGee (Mon Jul 11 2011 - 14:44:57 PDT)
- manikanthan bhavaraju (Mon Jul 11 2011 - 13:26:15 PDT)
[AMBER] AmberTools compilation problem
- Matteo Tiberti (Wed Jul 13 2011 - 01:40:02 PDT)
- David A Case (Tue Jul 12 2011 - 09:29:41 PDT)
- Matteo Tiberti (Tue Jul 12 2011 - 07:54:35 PDT)
[AMBER] AmberTools installation -
- David A Case (Wed Jul 06 2011 - 06:11:51 PDT)
- Jennifer L. Muzyka (Wed Jul 06 2011 - 06:02:42 PDT)
- David A Case (Wed Jul 06 2011 - 05:37:34 PDT)
- Jennifer L. Muzyka (Wed Jul 06 2011 - 05:18:28 PDT)
[AMBER] AmberTools installation error
- Jason Swails (Thu Jul 21 2011 - 08:03:33 PDT)
- David A Case (Thu Jul 21 2011 - 08:00:01 PDT)
- Jennifer L. Muzyka (Thu Jul 21 2011 - 07:34:44 PDT)
- Jason Swails (Wed Jul 20 2011 - 20:33:39 PDT)
- Jennifer L. Muzyka (Wed Jul 20 2011 - 11:28:54 PDT)
- David A Case (Wed Jul 20 2011 - 07:57:28 PDT)
- Jennifer L. Muzyka (Wed Jul 20 2011 - 07:25:11 PDT)
- Jason Swails (Sat Jul 09 2011 - 08:00:51 PDT)
- Jennifer L. Muzyka (Wed Jul 06 2011 - 05:08:58 PDT)
[AMBER] AmberTools1.5 &ff10
- Takeshi Baba (Wed Jul 06 2011 - 05:51:11 PDT)
- David A Case (Wed Jul 06 2011 - 05:27:38 PDT)
[AMBER] Analysis the changes of secondary structure in MD trajectory
- Carlos Simmerling (Mon Jul 11 2011 - 07:09:40 PDT)
- qiao xue (Mon Jul 11 2011 - 05:45:31 PDT)
[AMBER] Antechamber trouble with COA-acyl chain
- M. L. Dodson (Thu Jul 14 2011 - 08:28:36 PDT)
- Erin Kelly (Thu Jul 14 2011 - 07:07:46 PDT)
- Erin Kelly (Wed Jul 13 2011 - 15:08:07 PDT)
- case (Wed Jul 13 2011 - 15:06:14 PDT)
- case (Wed Jul 13 2011 - 14:58:30 PDT)
- Erin Kelly (Wed Jul 13 2011 - 13:10:42 PDT)
- Erin Kelly (Wed Jul 13 2011 - 12:59:03 PDT)
- intra\\sa175950 (Wed Jul 13 2011 - 08:30:20 PDT)
- Erin Kelly (Wed Jul 13 2011 - 07:53:48 PDT)
- Erin Kelly (Wed Jul 13 2011 - 07:28:45 PDT)
- David A Case (Wed Jul 13 2011 - 05:15:18 PDT)
- Erin Kelly (Tue Jul 12 2011 - 13:26:04 PDT)
- Erin Kelly (Tue Jul 12 2011 - 13:22:50 PDT)
- Dean Cuebas (Tue Jul 12 2011 - 13:04:04 PDT)
- David A Case (Tue Jul 12 2011 - 13:00:47 PDT)
- Erin Kelly (Tue Jul 12 2011 - 12:40:39 PDT)
- David A Case (Tue Jul 12 2011 - 11:43:34 PDT)
- Erin Kelly (Tue Jul 12 2011 - 09:37:15 PDT)
- David A Case (Tue Jul 12 2011 - 09:32:03 PDT)
- Erin Kelly (Tue Jul 12 2011 - 09:19:24 PDT)
- Erin Kelly (Tue Jul 12 2011 - 07:59:28 PDT)
[AMBER] APBS
- Daniel Aiello (Thu Jul 07 2011 - 11:24:16 PDT)
- Robert Konecny (Thu Jul 07 2011 - 11:17:22 PDT)
- Daniel Aiello (Thu Jul 07 2011 - 11:05:07 PDT)
- Robert Konecny (Thu Jul 07 2011 - 10:48:21 PDT)
- Daniel Aiello (Fri Jul 01 2011 - 07:06:23 PDT)
[AMBER] Aromatic bonds disappear during sdf creation with sleap
- Guenegou, Guillaume [ORDFR] (Wed Jul 27 2011 - 05:28:37 PDT)
[AMBER] atom mapping in leaprc.parmCHI_YIL.bsc
- case (Sun Jul 10 2011 - 18:40:50 PDT)
- Niel Henriksen (Thu Jul 07 2011 - 16:05:42 PDT)
[AMBER] belly energies
- Ignacio J. General (Tue Jul 26 2011 - 07:29:30 PDT)
[AMBER] breaking down amber parameter file to create fragments of original molecule using tleap
- g t (Mon Jul 25 2011 - 19:49:44 PDT)
[AMBER] Cannot find MMPBSA.MPI
- Jason Swails (Mon Jul 25 2011 - 18:15:51 PDT)
- Rajesh Raju (Mon Jul 25 2011 - 15:23:08 PDT)
[AMBER] CHAMBER: problems reading bond parameters in charmm parameter file
- Patrick von Glehn (Wed Jul 27 2011 - 04:27:10 PDT)
[AMBER] Changing the L-J parameter does not work?
- Bongkeun Kim (Wed Jul 27 2011 - 13:59:53 PDT)
- InSuk Joung (Wed Jul 27 2011 - 12:58:20 PDT)
- Bongkeun Kim (Wed Jul 27 2011 - 12:49:23 PDT)
- InSuk Joung (Wed Jul 27 2011 - 12:40:28 PDT)
- Bongkeun Kim (Wed Jul 27 2011 - 12:18:04 PDT)
- InSuk Joung (Wed Jul 27 2011 - 11:24:25 PDT)
- bkim.chem.ucsb.edu (Wed Jul 27 2011 - 09:58:41 PDT)
[AMBER] CHARMM format to Amber format
- Ross Walker (Wed Jul 27 2011 - 10:22:35 PDT)
- David Cantu (Wed Jul 27 2011 - 08:11:11 PDT)
- Jason Swails (Tue Jul 26 2011 - 16:26:46 PDT)
- David Cantu (Tue Jul 26 2011 - 14:49:55 PDT)
[AMBER] CHARMM in AMBER
- Brian Radak (Thu Jul 21 2011 - 06:05:26 PDT)
- Ross Walker (Wed Jul 20 2011 - 16:06:52 PDT)
- Brian Radak (Wed Jul 20 2011 - 13:14:12 PDT)
- Brian Radak (Wed Jul 20 2011 - 09:23:42 PDT)
- Brian Radak (Wed Jul 20 2011 - 09:21:09 PDT)
- Marc van der Kamp (Wed Jul 20 2011 - 09:09:58 PDT)
- Brian Radak (Wed Jul 20 2011 - 08:52:05 PDT)
- Marc van der Kamp (Wed Jul 20 2011 - 08:16:31 PDT)
- David A Case (Wed Jul 20 2011 - 07:19:25 PDT)
- Brian Radak (Wed Jul 20 2011 - 07:09:42 PDT)
[AMBER] chiral restraints in AMBER
- David Condon (Sun Jul 31 2011 - 04:40:48 PDT)
- Ilyas Yildirim (Sat Jul 30 2011 - 20:39:21 PDT)
- David Condon (Sat Jul 30 2011 - 16:55:05 PDT)
[AMBER] cluster MD trajectory by attribute
- Oliver Kuhn (Mon Jul 18 2011 - 11:01:23 PDT)
[AMBER] configure_error
- Daniel Roe (Sat Jul 23 2011 - 10:50:04 PDT)
- Carmen Di Giovanni (Tue Jul 19 2011 - 10:44:37 PDT)
[AMBER] confusions about some thermodynamic properties
- steinbrt.rci.rutgers.edu (Tue Jul 19 2011 - 01:12:30 PDT)
- case (Mon Jul 18 2011 - 19:40:49 PDT)
- zhouhaibin2008.ok (Mon Jul 18 2011 - 17:42:13 PDT)
[AMBER] confusions about some thermodynamic properties of TIP3P water
- zhouhaibin2008.ok (Mon Jul 18 2011 - 07:01:52 PDT)
- steinbrt.rci.rutgers.edu (Mon Jul 18 2011 - 02:02:01 PDT)
- zhouhaibin2008.ok (Mon Jul 18 2011 - 01:30:47 PDT)
[AMBER] continuing an mmpbsa run
- Jason Swails (Mon Jul 04 2011 - 08:42:27 PDT)
- Chris Chris (Mon Jul 04 2011 - 06:29:20 PDT)
[AMBER] converting amber8 prmtop to amber11
- Jason Swails (Wed Jul 13 2011 - 13:17:59 PDT)
- manikanthan bhavaraju (Wed Jul 13 2011 - 12:38:45 PDT)
[AMBER] Count number of frames in any trajectory file
- Jan-Philip Gehrcke (Mon Jul 18 2011 - 10:34:22 PDT)
- Daniel Roe (Mon Jul 18 2011 - 10:10:11 PDT)
- Jan-Philip Gehrcke (Mon Jul 18 2011 - 08:53:40 PDT)
- Daniel Roe (Mon Jul 18 2011 - 08:32:05 PDT)
- Jan-Philip Gehrcke (Mon Jul 18 2011 - 07:45:37 PDT)
[AMBER] create walls
- steinbrt.rci.rutgers.edu (Thu Jul 28 2011 - 03:56:49 PDT)
- amir abbasi (Thu Jul 28 2011 - 01:15:13 PDT)
- steinbrt.rci.rutgers.edu (Wed Jul 27 2011 - 07:51:51 PDT)
- amir abbasi (Wed Jul 27 2011 - 06:36:56 PDT)
- Jason Swails (Mon Jul 25 2011 - 18:17:20 PDT)
- amir abbasi (Mon Jul 25 2011 - 04:07:51 PDT)
- Jason Swails (Sat Jul 23 2011 - 09:22:03 PDT)
- amir abbasi (Sat Jul 23 2011 - 05:27:49 PDT)
[AMBER] Creating hoogsteen basepaired DNA using NAB
- Andre Serobian (Thu Jul 28 2011 - 01:45:11 PDT)
- Andre Serobian (Fri Jul 22 2011 - 15:13:20 PDT)
- David A Case (Fri Jul 22 2011 - 07:10:31 PDT)
- Andre Serobian (Thu Jul 21 2011 - 21:26:26 PDT)
- case (Fri Jul 08 2011 - 20:08:23 PDT)
- Andre Serobian (Fri Jul 08 2011 - 18:38:01 PDT)
- case (Fri Jul 08 2011 - 05:41:39 PDT)
- Andre Serobian (Fri Jul 08 2011 - 00:18:37 PDT)
[AMBER] CUDA 4.0
- Jason Swails (Wed Jul 20 2011 - 09:58:31 PDT)
- Craig West (Tue Jul 19 2011 - 22:24:22 PDT)
[AMBER] Cuda compilation problem
- Fernando Martín García (Mon Jul 18 2011 - 02:14:35 PDT)
[AMBER] cudaMemcpy GpuBuffer::Upload failed invalid argument
- Oliver Kuhn (Mon Jul 11 2011 - 10:24:45 PDT)
- Ross Walker (Mon Jul 11 2011 - 09:12:18 PDT)
- Oliver Kuhn (Mon Jul 11 2011 - 08:32:56 PDT)
[AMBER] deletion of one water molecule from .rst and prmtop files
- Hirdesh Kumar (Thu Jul 07 2011 - 22:18:26 PDT)
[AMBER] Different trajectories with different RMSD with changing the parameters of gamma_ln, taup, timesteps and extend of density equilibration
- Thomas Cheatham III (Fri Jul 08 2011 - 16:11:59 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 15:46:56 PDT)
- Thomas Cheatham III (Fri Jul 08 2011 - 14:49:34 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 14:00:07 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 13:59:35 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 13:16:48 PDT)
- Daniel Roe (Fri Jul 08 2011 - 12:43:57 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 10:49:15 PDT)
[AMBER] Different trajectories with large difference in RMSD with changing the parameters values of gamma_ln, taup, timesteps and extend of density equilibration
- Rajesh Raju (Wed Jul 06 2011 - 09:15:53 PDT)
- Adrian Roitberg (Wed Jul 06 2011 - 09:03:26 PDT)
- Rajesh Raju (Wed Jul 06 2011 - 08:59:32 PDT)
[AMBER] Diffusion
- George Tzotzos (Fri Jul 15 2011 - 05:18:17 PDT)
[AMBER] Discrepancy in Ca++ Vdw parameters ?
- Marek Maly (Sat Jul 16 2011 - 15:22:44 PDT)
[AMBER] Discrepancy in Ca++ Vdw parameters considering two Amber data sources - please comment
- Marek Maly (Tue Jul 19 2011 - 07:33:58 PDT)
[AMBER] dist restraint
- e p (Fri Jul 08 2011 - 22:18:21 PDT)
- case (Mon Jul 04 2011 - 05:53:40 PDT)
- e p (Sun Jul 03 2011 - 22:53:39 PDT)
- case (Sun Jul 03 2011 - 05:47:39 PDT)
- e p (Sun Jul 03 2011 - 03:29:57 PDT)
- e p (Sat Jul 02 2011 - 22:22:11 PDT)
- case (Sat Jul 02 2011 - 06:00:18 PDT)
- e p (Fri Jul 01 2011 - 22:05:30 PDT)
- e p (Fri Jul 01 2011 - 22:03:00 PDT)
- e p (Fri Jul 01 2011 - 20:10:04 PDT)
[AMBER] distance and angle cutoff for hydrogen bond
- atila petrosian (Sat Jul 30 2011 - 05:04:08 PDT)
[AMBER] DNA simulation
- Bruno Rodrigues (Wed Jul 06 2011 - 04:40:19 PDT)
- Jason Swails (Sun Jul 03 2011 - 23:30:55 PDT)
- najmul arfin (Sun Jul 03 2011 - 22:55:38 PDT)
[AMBER] Edit prmtop file
- Bill Ross (Wed Jul 13 2011 - 10:31:18 PDT)
- Marc van der Kamp (Wed Jul 13 2011 - 03:06:19 PDT)
- Paul Mortenson (Wed Jul 13 2011 - 02:14:16 PDT)
- Marc van der Kamp (Wed Jul 13 2011 - 01:48:59 PDT)
- Paul Mortenson (Wed Jul 13 2011 - 01:37:53 PDT)
[AMBER] Element definition
- amir abbasi (Tue Jul 26 2011 - 04:45:35 PDT)
[AMBER] Energy Decomp with mm_pbsa.pl
- Daniel Aiello (Thu Jul 07 2011 - 10:26:37 PDT)
- Dwight McGee (Thu Jul 07 2011 - 10:25:20 PDT)
- Daniel Aiello (Thu Jul 07 2011 - 09:58:11 PDT)
[AMBER] Energy or Temperature Fluctuation
- Sindrila Dutta banik (Thu Jul 28 2011 - 03:44:56 PDT)
[AMBER] Energy output when using ibelly
- Jason Swails (Sat Jul 30 2011 - 14:17:58 PDT)
- case (Fri Jul 29 2011 - 08:34:05 PDT)
- Ignacio J. General (Fri Jul 29 2011 - 07:55:10 PDT)
- case (Fri Jul 29 2011 - 07:44:43 PDT)
- Ignacio J. General (Fri Jul 29 2011 - 07:13:38 PDT)
- David Case (Thu Jul 28 2011 - 15:15:29 PDT)
- Ignacio J. General (Thu Jul 28 2011 - 13:16:34 PDT)
- Ross Walker (Thu Jul 28 2011 - 13:03:33 PDT)
- Brian Radak (Thu Jul 28 2011 - 12:59:51 PDT)
- Ignacio J. General (Thu Jul 28 2011 - 12:48:46 PDT)
[AMBER] Error
- KIRTANA S (Tue Jul 05 2011 - 21:06:21 PDT)
[AMBER] ERROR - No pdb file generated using NAB
- case (Sat Jul 09 2011 - 06:14:49 PDT)
- Andre Serobian (Fri Jul 08 2011 - 21:08:18 PDT)
[AMBER] Error compiling amber cuda
- Jason Swails (Mon Jul 25 2011 - 18:26:57 PDT)
- Fabrício Bracht (Mon Jul 25 2011 - 16:18:13 PDT)
- Ross Walker (Mon Jul 25 2011 - 11:20:19 PDT)
- Fabrício Bracht (Mon Jul 25 2011 - 10:10:32 PDT)
- Ross Walker (Mon Jul 25 2011 - 09:53:25 PDT)
- Fabrício Bracht (Mon Jul 25 2011 - 08:54:41 PDT)
- Fabrício Bracht (Sat Jul 23 2011 - 13:22:35 PDT)
- Ross Walker (Sat Jul 23 2011 - 09:23:22 PDT)
- Fabrício Bracht (Sat Jul 23 2011 - 07:29:37 PDT)
- Jason Swails (Fri Jul 22 2011 - 18:38:31 PDT)
- Fabrício Bracht (Fri Jul 22 2011 - 17:15:57 PDT)
- Ross Walker (Fri Jul 22 2011 - 16:38:58 PDT)
- Ross Walker (Fri Jul 22 2011 - 14:55:47 PDT)
- Fabrício Bracht (Fri Jul 22 2011 - 14:51:16 PDT)
- Fabrício Bracht (Fri Jul 22 2011 - 14:30:31 PDT)
[AMBER] Error in ptraj trajin
- David Condon (Tue Jul 19 2011 - 11:00:30 PDT)
- Thomas Cheatham (Tue Jul 19 2011 - 10:53:56 PDT)
- David Condon (Tue Jul 19 2011 - 10:28:09 PDT)
- Daniel Roe (Tue Jul 19 2011 - 08:08:03 PDT)
- David Condon (Tue Jul 19 2011 - 06:11:03 PDT)
[AMBER] Error in unit 9 inpcrd file
- KIRTANA S (Mon Jul 18 2011 - 11:44:46 PDT)
- David A Case (Mon Jul 18 2011 - 11:00:58 PDT)
- KIRTANA S (Mon Jul 18 2011 - 10:21:42 PDT)
- case (Mon Jul 18 2011 - 04:50:10 PDT)
- case (Mon Jul 18 2011 - 04:46:53 PDT)
- jani vinod (Mon Jul 18 2011 - 02:00:53 PDT)
- KIRTANA S (Sun Jul 17 2011 - 19:36:23 PDT)
- case (Sun Jul 17 2011 - 18:40:39 PDT)
- KIRTANA S (Sat Jul 16 2011 - 21:24:51 PDT)
[AMBER] Error mmpbsa
- John S (Fri Jul 01 2011 - 22:15:14 PDT)
- Ray Luo, Ph.D. (Fri Jul 01 2011 - 07:57:41 PDT)
- John S (Fri Jul 01 2011 - 07:21:01 PDT)
- John S (Thu Jun 30 2011 - 21:17:48 PDT)
[AMBER] Error on installing AMBERTOOLS 1.5
- ysjho (Thu Jul 21 2011 - 18:53:33 PDT)
[AMBER] Error with na_anal.c
- case (Mon Jul 18 2011 - 06:18:17 PDT)
- Chirag Vora (Mon Jul 18 2011 - 06:07:57 PDT)
- case (Mon Jul 18 2011 - 05:35:22 PDT)
- Chirag Vora (Mon Jul 18 2011 - 01:50:53 PDT)
[AMBER] error: GBSA with mm_pbsa.pl
- Jason Swails (Mon Jul 18 2011 - 07:44:58 PDT)
- manikanthan bhavaraju (Sun Jul 17 2011 - 22:01:42 PDT)
- Jason Swails (Sun Jul 17 2011 - 03:58:07 PDT)
- manikanthan bhavaraju (Wed Jul 13 2011 - 20:35:25 PDT)
[AMBER] extra_pts.f
- tsurma.umich.edu (Sun Jul 10 2011 - 13:47:37 PDT)
- case (Fri Jul 08 2011 - 15:07:22 PDT)
- tsurma.umich.edu (Fri Jul 08 2011 - 06:30:02 PDT)
- case (Fri Jul 08 2011 - 05:29:52 PDT)
- tsurma.umich.edu (Thu Jul 07 2011 - 14:08:47 PDT)
[AMBER] Failure kReduceSoluteCOM with GPU
- Fabrício Bracht (Sat Jul 30 2011 - 19:26:25 PDT)
- Ross Walker (Sat Jul 30 2011 - 13:15:22 PDT)
- Scott Le Grand (Sat Jul 30 2011 - 09:51:32 PDT)
- Fabrício Bracht (Fri Jul 29 2011 - 10:42:33 PDT)
- Ross Walker (Wed Jul 27 2011 - 14:57:12 PDT)
- Fabrício Bracht (Wed Jul 27 2011 - 12:05:22 PDT)
- Ross Walker (Wed Jul 27 2011 - 10:28:18 PDT)
- Fabrício Bracht (Wed Jul 27 2011 - 08:52:31 PDT)
- Scott Brozell (Tue Jul 26 2011 - 23:55:01 PDT)
- Fabrício Bracht (Tue Jul 26 2011 - 16:04:27 PDT)
- Fabrício Bracht (Tue Jul 26 2011 - 06:07:28 PDT)
- Scott Brozell (Mon Jul 25 2011 - 23:27:37 PDT)
- Fabrício Bracht (Mon Jul 25 2011 - 20:44:10 PDT)
[AMBER] Fatal error in MPI_Init: Other MPI error
- Santosh Mogurampelly (Tue Jul 05 2011 - 11:30:19 PDT)
[AMBER] ff03 force field
- tsurma.umich.edu (Thu Jul 07 2011 - 14:08:07 PDT)
- tsurma.umich.edu (Wed Jul 06 2011 - 20:59:56 PDT)
- case (Sun Jul 03 2011 - 09:59:17 PDT)
[AMBER] force field issues using AT15
- Jason Swails (Wed Jul 27 2011 - 12:30:29 PDT)
- case (Wed Jul 27 2011 - 07:07:51 PDT)
- Peter Varnai (Wed Jul 27 2011 - 05:26:58 PDT)
- Jason Swails (Tue Jul 26 2011 - 16:41:38 PDT)
- Peter Varnai (Tue Jul 26 2011 - 14:11:19 PDT)
[AMBER] Fwd: cluster MD trajectory by attribute - solved
- Oliver Kuhn (Tue Jul 19 2011 - 07:20:38 PDT)
[AMBER] Fwd: Cuda compilation problem
- Fernando Martín García (Tue Jul 19 2011 - 02:12:43 PDT)
[AMBER] Fwd: Periodicity in MD simulations
- Oliver Kuhn (Thu Jul 21 2011 - 07:10:49 PDT)
- Ross Walker (Thu Jul 21 2011 - 04:28:27 PDT)
- Oliver Kuhn (Thu Jul 21 2011 - 01:56:18 PDT)
- Ignacio J. General (Wed Jul 20 2011 - 06:29:36 PDT)
- Oliver Kuhn (Wed Jul 20 2011 - 00:51:22 PDT)
- Oliver Kuhn (Wed Jul 20 2011 - 00:43:39 PDT)
- Oliver Kuhn (Tue Jul 19 2011 - 23:00:06 PDT)
[AMBER] glib(c) error in mmpbsa
- KIRTANA S (Thu Jul 07 2011 - 14:57:59 PDT)
[AMBER] H++ protonation
- Ramu Anandakrishnan (Mon Jul 18 2011 - 16:30:29 PDT)
- Massimiliano Porrini (Mon Jul 18 2011 - 11:43:51 PDT)
- Massimiliano Porrini (Mon Jul 18 2011 - 09:34:23 PDT)
[AMBER] H-bond vs. time
- David A Case (Fri Jul 22 2011 - 05:20:11 PDT)
- Beale, John (Fri Jul 22 2011 - 03:06:46 PDT)
[AMBER] hbond analysis
- Bruno Rodrigues (Thu Jul 28 2011 - 09:45:10 PDT)
- subrata paul (Thu Jul 28 2011 - 02:51:11 PDT)
[AMBER] hbond vs time
- subrata paul (Fri Jul 22 2011 - 03:02:42 PDT)
[AMBER] Heavy atom definition
- Eliac Brown (Mon Jul 11 2011 - 03:52:56 PDT)
[AMBER] help
- xiao fugui (Mon Jul 11 2011 - 19:16:56 PDT)
[AMBER] How Kinetic energy is can be converted to Temperature under the SHAKE constraint?
- kurisaki (Thu Jun 30 2011 - 19:18:43 PDT)
[AMBER] How to choose MMGBSA saltcon varaible value
- Jason Swails (Fri Jul 22 2011 - 07:24:06 PDT)
- Rajesh Raju (Thu Jul 21 2011 - 16:37:49 PDT)
[AMBER] How to make the picture of secstruct and the analysis of Hbond
- qiao xue (Tue Jul 19 2011 - 19:01:48 PDT)
- Daniel Roe (Mon Jul 18 2011 - 06:25:54 PDT)
- qiao xue (Fri Jul 15 2011 - 20:21:04 PDT)
- Daniel Roe (Thu Jul 14 2011 - 04:27:13 PDT)
- qiao xue (Wed Jul 13 2011 - 16:54:10 PDT)
[AMBER] How to use nonlin option of APBS in MMPBSA.py?
- Dwight McGee (Tue Jul 19 2011 - 10:31:32 PDT)
- Wei Huang (Tue Jul 19 2011 - 10:03:38 PDT)
[AMBER] idecomp and res card
- Elisa Frezza (Thu Jul 28 2011 - 01:21:22 PDT)
- Jason Swails (Wed Jul 27 2011 - 14:52:14 PDT)
- Elisa Frezza (Wed Jul 27 2011 - 12:36:31 PDT)
- Jason Swails (Wed Jul 27 2011 - 12:33:09 PDT)
- Elisa Frezza (Wed Jul 27 2011 - 06:28:13 PDT)
[AMBER] Imaging everything inside an octahedral box
- Daniel Roe (Mon Jul 18 2011 - 06:52:14 PDT)
- Daniel Kuroda (Sun Jul 17 2011 - 07:57:20 PDT)
[AMBER] Inquiry about installing AMBER
- Mo Chen (Wed Jul 06 2011 - 07:52:41 PDT)
- Bruno Rodrigues (Wed Jul 06 2011 - 04:41:40 PDT)
[AMBER] install DFTB plus with Amber 11
- Gustavo Seabra (Wed Jul 06 2011 - 14:31:15 PDT)
- Yubo Fan (Wed Jul 06 2011 - 12:41:56 PDT)
- Gustavo Seabra (Tue Jul 05 2011 - 11:22:37 PDT)
- David A Case (Tue Jul 05 2011 - 09:52:39 PDT)
- Yubo Fan (Tue Jul 05 2011 - 09:39:44 PDT)
[AMBER] INSTALLATION ERROR ON RED HAT LINUX
- case (Fri Jul 08 2011 - 13:35:32 PDT)
- Rajabrata Bhuyan (Fri Jul 08 2011 - 09:15:10 PDT)
- Ye MEI (Thu Jun 30 2011 - 23:45:00 PDT)
- Rajabrata Bhuyan (Thu Jun 30 2011 - 23:13:28 PDT)
[AMBER] installation of ambertools-- help
- Daniel Roe (Mon Jul 18 2011 - 06:13:47 PDT)
- Daniel Roe (Mon Jul 18 2011 - 05:31:43 PDT)
- Nyla Zaman (Sun Jul 17 2011 - 22:19:38 PDT)
- David A Case (Fri Jul 15 2011 - 05:30:48 PDT)
- waqasuddin.khan.iccs.edu (Fri Jul 15 2011 - 03:37:05 PDT)
- Nyla Zaman (Fri Jul 15 2011 - 02:57:22 PDT)
- David A Case (Thu Jul 14 2011 - 05:42:16 PDT)
- Nyla Zaman (Thu Jul 14 2011 - 04:50:15 PDT)
[AMBER] Installation Problem
- David A Case (Tue Jul 05 2011 - 04:54:19 PDT)
- souvik sur (Tue Jul 05 2011 - 00:00:02 PDT)
[AMBER] Interaction - Constrain
- Carlos Simmerling (Sat Jul 09 2011 - 04:21:50 PDT)
- Eliac Brown (Sat Jul 09 2011 - 04:19:33 PDT)
[AMBER] Intercalation site creation
- Pooja Khurana (Tue Jul 05 2011 - 03:48:59 PDT)
[AMBER] ions params for SPC/F water
- Bill Ross (Fri Jul 22 2011 - 13:13:46 PDT)
- Bruno Rodrigues (Thu Jul 21 2011 - 06:49:24 PDT)
- David A Case (Thu Jul 21 2011 - 05:43:21 PDT)
- Bruno Rodrigues (Wed Jul 20 2011 - 20:39:50 PDT)
[AMBER] Kinetic energy in mdout file is not identical to that calculated from mdvel file.
- kurisaki (Thu Jun 30 2011 - 20:10:31 PDT)
[AMBER] Large flcutions in the RMSD deviations upon changing the parameters values of gamma_ln, taup and timesteps ..How a small variation leads to such a larage change??
- Rajesh Raju (Tue Jul 05 2011 - 16:27:58 PDT)
[AMBER] ligand & protein with dist restraint
- Dmitry Nilov (Wed Jul 13 2011 - 02:54:12 PDT)
- e p (Wed Jul 13 2011 - 02:05:34 PDT)
- Dmitry Nilov (Tue Jul 12 2011 - 23:45:06 PDT)
- e p (Tue Jul 12 2011 - 22:35:08 PDT)
- Dmitry Nilov (Tue Jul 12 2011 - 04:30:35 PDT)
- e p (Mon Jul 11 2011 - 07:08:10 PDT)
[AMBER] Ligand parametrization
- Thomas Gaillard (Fri Jul 08 2011 - 04:18:46 PDT)
- Matteo Tiberti (Fri Jul 08 2011 - 03:30:42 PDT)
[AMBER] Ligands and cofactors in enzymes
- David Cantu (Tue Jul 19 2011 - 09:42:59 PDT)
- Gustavo Seabra (Tue Jul 19 2011 - 09:19:24 PDT)
- David A Case (Tue Jul 19 2011 - 08:40:09 PDT)
- Gustavo Seabra (Tue Jul 19 2011 - 08:37:02 PDT)
- David Cantu (Tue Jul 19 2011 - 07:31:38 PDT)
- Gustavo Seabra (Tue Jul 19 2011 - 03:58:31 PDT)
- Dmitry Nilov (Mon Jul 18 2011 - 23:06:13 PDT)
- David Cantu (Mon Jul 18 2011 - 21:54:50 PDT)
[AMBER] Make_Gnu_Win_error
- Andreas Goetz (Wed Jul 27 2011 - 08:04:08 PDT)
- Andreas Goetz (Sun Jul 24 2011 - 11:15:05 PDT)
- Carmen Di Giovanni (Fri Jul 22 2011 - 08:53:01 PDT)
[AMBER] minimization error
- case (Fri Jul 08 2011 - 13:27:00 PDT)
- Zhu Tong (Fri Jul 08 2011 - 05:55:24 PDT)
[AMBER] Minimization Question
- Bill Ross (Mon Jul 11 2011 - 19:25:12 PDT)
- Bill Ross (Mon Jul 11 2011 - 19:15:35 PDT)
- Eliac Brown (Mon Jul 11 2011 - 18:18:41 PDT)
[AMBER] Missing Na+ type in ff10 in maksing topolgy file
- case (Fri Jul 08 2011 - 20:02:22 PDT)
- Rajesh Raju (Fri Jul 08 2011 - 17:15:25 PDT)
[AMBER] MM-GBSA with QM data
- Jason Swails (Mon Jul 04 2011 - 08:40:01 PDT)
- Aust, Susanne (Mon Jul 04 2011 - 02:04:17 PDT)
[AMBER] MM_pbsa
- 刘金峰 (Fri Jul 22 2011 - 17:29:25 PDT)
- Ray Luo, Ph.D. (Fri Jul 22 2011 - 16:59:40 PDT)
- 刘金峰 (Fri Jul 22 2011 - 01:40:21 PDT)
[AMBER] MM_PBSA analysis warning
- Sangita Kachhap (Wed Jul 13 2011 - 04:30:09 PDT)
[AMBER] MMGBSA of Mg-containing ligand
- Irene Newhouse (Wed Jul 27 2011 - 14:57:02 PDT)
[AMBER] MMGBSA.py error
- Jason Swails (Tue Jul 19 2011 - 15:43:21 PDT)
- Rajesh Raju (Tue Jul 19 2011 - 14:54:48 PDT)
- Bill Miller III (Tue Jul 19 2011 - 14:48:16 PDT)
- Rajesh Raju (Tue Jul 19 2011 - 13:53:28 PDT)
[AMBER] MMPBSA calculation in complex with Membrane
- Bill Miller III (Sun Jul 17 2011 - 17:09:32 PDT)
- 徐见容 (Sun Jul 17 2011 - 16:33:59 PDT)
- Bill Miller III (Sun Jul 17 2011 - 14:30:39 PDT)
- 徐见容 (Sun Jul 17 2011 - 14:12:26 PDT)
- Bill Miller III (Sun Jul 17 2011 - 12:07:20 PDT)
- 徐见容 (Sun Jul 17 2011 - 10:48:34 PDT)
- Bill Miller III (Sun Jul 17 2011 - 10:27:14 PDT)
- 徐见容 (Sun Jul 17 2011 - 10:19:49 PDT)
- Bill Miller III (Sun Jul 17 2011 - 09:47:16 PDT)
- 徐见容 (Sun Jul 17 2011 - 09:43:29 PDT)
[AMBER] MMPBSA yielding different values when processed with .prepin and .lib file
- sunita gupta (Thu Jul 28 2011 - 01:14:41 PDT)
[AMBER] MMPBSA.MPI running error problem
- Scott Brozell (Mon Jul 25 2011 - 23:37:18 PDT)
- Rajesh Raju (Mon Jul 25 2011 - 22:16:32 PDT)
[AMBER] MMPBSA.MPI running issue
- Ye Fan (Tue Jul 19 2011 - 10:39:59 PDT)
- Jason Swails (Fri Jul 15 2011 - 15:20:41 PDT)
- Ye Fan (Fri Jul 15 2011 - 12:27:08 PDT)
- Dwight McGee (Fri Jul 15 2011 - 09:47:07 PDT)
- Ye Fan (Fri Jul 15 2011 - 09:33:17 PDT)
- Ye Fan (Wed Jul 06 2011 - 07:51:28 PDT)
- Bill Miller III (Tue Jul 05 2011 - 15:14:21 PDT)
- Ye Fan (Tue Jul 05 2011 - 12:53:29 PDT)
- Bill Miller III (Tue Jul 05 2011 - 09:57:29 PDT)
- Ye Fan (Tue Jul 05 2011 - 09:50:18 PDT)
- Jason Swails (Sat Jul 02 2011 - 17:18:55 PDT)
- Ye Fan (Fri Jul 01 2011 - 16:08:49 PDT)
- Jason Swails (Fri Jul 01 2011 - 09:39:19 PDT)
- Ye Fan (Fri Jul 01 2011 - 09:00:33 PDT)
[AMBER] MMPBSA.py - cluster analysis
- Roman Osman (Fri Jul 29 2011 - 08:41:34 PDT)
- George Tzotzos (Fri Jul 29 2011 - 08:35:11 PDT)
- Bill Miller III (Fri Jul 29 2011 - 08:09:29 PDT)
- George Tzotzos (Fri Jul 29 2011 - 07:58:47 PDT)
- Bill Miller III (Fri Jul 29 2011 - 06:56:17 PDT)
- George Tzotzos (Fri Jul 29 2011 - 06:21:25 PDT)
[AMBER] MMPBSA.py is crashing
- Adrian Roitberg (Tue Jul 12 2011 - 23:53:41 PDT)
- Dwight McGee (Tue Jul 12 2011 - 18:35:38 PDT)
- manikanthan bhavaraju (Tue Jul 12 2011 - 14:07:26 PDT)
- Dwight McGee (Tue Jul 12 2011 - 13:43:54 PDT)
- manikanthan bhavaraju (Tue Jul 12 2011 - 13:19:24 PDT)
[AMBER] MMPBSA_ERROR MAXNEI too short
- Ray Luo, Ph.D. (Wed Jul 06 2011 - 09:37:32 PDT)
- Raja Pandian (Wed Jul 06 2011 - 00:14:09 PDT)
[AMBER] MPI cuda compilation error
- Fabrício Bracht (Sat Jul 02 2011 - 15:26:52 PDT)
- case (Sat Jul 02 2011 - 13:31:35 PDT)
- Jason Swails (Sat Jul 02 2011 - 12:51:17 PDT)
- Ross Walker (Sat Jul 02 2011 - 11:31:34 PDT)
- Fabrício Bracht (Sat Jul 02 2011 - 09:34:11 PDT)
- case (Sat Jul 02 2011 - 06:35:51 PDT)
- Ross Walker (Sat Jul 02 2011 - 03:01:07 PDT)
- filip fratev (Sat Jul 02 2011 - 02:46:29 PDT)
- Fabrício Bracht (Fri Jul 01 2011 - 17:03:50 PDT)
[AMBER] Multiple CPU and single GPU doubt
- Ross Walker (Sun Jul 03 2011 - 04:59:50 PDT)
- Jason Swails (Sat Jul 02 2011 - 17:14:48 PDT)
- Fabrício Bracht (Sat Jul 02 2011 - 15:36:26 PDT)
[AMBER] NBONH is greater than number of hydrogen for protein.
- David A Case (Fri Jul 01 2011 - 05:01:50 PDT)
- kurisaki (Thu Jun 30 2011 - 20:42:47 PDT)
- kurisaki (Thu Jun 30 2011 - 20:23:22 PDT)
[AMBER] NETCDF Installation Error
- Ali Faruqi (Sat Jul 02 2011 - 01:59:06 PDT)
[AMBER] nmropt on dihedral angles, are half harmonic restraints possible?
- case (Thu Jul 28 2011 - 07:33:52 PDT)
- Brian Radak (Wed Jul 27 2011 - 11:39:41 PDT)
[AMBER] Non-Standard Residues Problems
- David A Case (Fri Jul 01 2011 - 04:59:18 PDT)
[AMBER] nonbond parameter for copper(Ⅱ) ion
- Marek Maly (Sat Jul 16 2011 - 16:56:24 PDT)
- ros (Sat Jul 16 2011 - 15:35:56 PDT)
- Marek Maly (Sat Jul 16 2011 - 14:47:54 PDT)
- ros (Fri Jul 15 2011 - 18:58:06 PDT)
- caobb0214 (Fri Jul 15 2011 - 17:29:27 PDT)
[AMBER] number of solvent molecule around solute
- Adrian Roitberg (Wed Jul 13 2011 - 03:21:41 PDT)
- subrata paul (Wed Jul 13 2011 - 02:56:59 PDT)
[AMBER] old prmtop and prmtop 7
- David A Case (Thu Jul 14 2011 - 13:15:23 PDT)
- Qian Wang (Thu Jul 14 2011 - 12:27:53 PDT)
[AMBER] Oxygen Gaff Atom Type
- David Cantu (Thu Jul 28 2011 - 10:29:10 PDT)
- David Case (Wed Jul 27 2011 - 16:24:32 PDT)
- David Cantu (Wed Jul 27 2011 - 15:19:41 PDT)
[AMBER] Parm .dat format and frcmod
- Thomas Gaillard (Sun Jul 31 2011 - 04:42:46 PDT)
- tdo.chem.ucsb.edu (Sat Jul 30 2011 - 23:29:32 PDT)
[AMBER] PB calculation error when using MMPBSA.py
- Mengjuei Hsieh (Wed Jul 20 2011 - 12:57:28 PDT)
- Zhi Wang (Wed Jul 20 2011 - 12:46:13 PDT)
- Bill Miller III (Wed Jul 20 2011 - 11:50:09 PDT)
- Jason Swails (Wed Jul 20 2011 - 10:03:25 PDT)
- zw258.cam.ac.uk (Wed Jul 20 2011 - 01:01:45 PDT)
- Bill Miller III (Tue Jul 19 2011 - 17:51:30 PDT)
- Zhi Wang (Tue Jul 19 2011 - 15:02:30 PDT)
- Bill Miller III (Tue Jul 19 2011 - 14:54:02 PDT)
- Bill Miller III (Tue Jul 19 2011 - 10:31:10 PDT)
- zw258.cam.ac.uk (Tue Jul 19 2011 - 05:47:25 PDT)
- Bill Miller III (Tue Jul 19 2011 - 03:28:33 PDT)
- zw258.cam.ac.uk (Tue Jul 19 2011 - 01:03:29 PDT)
[AMBER] Periodicity in MD simulations
- Oliver Kuhn (Tue Jul 19 2011 - 22:30:43 PDT)
- Daniel Roe (Tue Jul 19 2011 - 08:15:37 PDT)
- Ignacio J. General (Tue Jul 19 2011 - 08:09:17 PDT)
- Carlos Simmerling (Tue Jul 19 2011 - 07:42:53 PDT)
- Oliver Kuhn (Mon Jul 18 2011 - 11:17:35 PDT)
[AMBER] Please solve my problem
- e p (Tue Jul 12 2011 - 22:46:19 PDT)
- e p (Tue Jul 12 2011 - 22:45:18 PDT)
- Carlos Simmerling (Tue Jul 12 2011 - 04:20:22 PDT)
- Adrian Roitberg (Tue Jul 12 2011 - 04:18:30 PDT)
- e p (Tue Jul 12 2011 - 04:11:52 PDT)
[AMBER] pmemd trajectory for mm_pbsa/gbsa analysis on sander
- David A Case (Thu Jul 14 2011 - 08:05:46 PDT)
- Sangeetha B (Thu Jul 14 2011 - 07:38:40 PDT)
[AMBER] possible problem with periodic cell
- Bruno Rodrigues (Thu Jul 28 2011 - 14:55:02 PDT)
- Bill Ross (Thu Jul 28 2011 - 14:34:08 PDT)
- Bruno Rodrigues (Thu Jul 28 2011 - 14:01:32 PDT)
[AMBER] Proble related to with dipole-dipole correlation function
- Sindrila Dutta banik (Sun Jul 31 2011 - 04:54:39 PDT)
[AMBER] problem installing amber 10
- Scott Brozell (Tue Jul 26 2011 - 23:59:23 PDT)
- Nyla Zaman (Tue Jul 26 2011 - 22:28:14 PDT)
- case (Tue Jul 26 2011 - 06:39:51 PDT)
- amir abbasi (Tue Jul 26 2011 - 04:40:54 PDT)
- Ali Faruqi (Tue Jul 26 2011 - 03:53:19 PDT)
- Nyla Zaman (Tue Jul 26 2011 - 02:19:56 PDT)
- Ali Faruqi (Tue Jul 26 2011 - 01:43:28 PDT)
- amir abbasi (Tue Jul 26 2011 - 01:42:57 PDT)
- Scott Brozell (Mon Jul 25 2011 - 23:55:34 PDT)
- Nyla Zaman (Mon Jul 25 2011 - 22:33:35 PDT)
[AMBER] Problem of creating trpcage TC5b amino acid sequence using "sequence" command
- Aimin (Thu Jul 21 2011 - 10:19:23 PDT)
- Jason Swails (Thu Jul 21 2011 - 10:09:28 PDT)
- Aimin (Thu Jul 21 2011 - 09:58:46 PDT)
- Emmanuel Baribefe Naziga (Thu Jul 21 2011 - 09:37:01 PDT)
- Carlos Simmerling (Thu Jul 21 2011 - 09:34:56 PDT)
- Aimin (Thu Jul 21 2011 - 09:28:01 PDT)
[AMBER] Problem related to the Corelation Function
- case (Sat Jul 16 2011 - 11:48:33 PDT)
- Sindrila Dutta banik (Sat Jul 16 2011 - 07:20:53 PDT)
[AMBER] Problem related to the Potential Mean Force
- Sindrila Dutta banik (Tue Jul 05 2011 - 23:37:32 PDT)
[AMBER] Problem related to the residue template of zwiterionic state
- case (Sun Jul 10 2011 - 18:36:39 PDT)
- Sindrila Dutta banik (Sat Jul 09 2011 - 20:36:22 PDT)
[AMBER] Problem related to the RMSD
- Sindrila Dutta banik (Thu Jul 28 2011 - 03:25:30 PDT)
- Daniel Roe (Wed Jul 27 2011 - 10:52:24 PDT)
- Sindrila Dutta banik (Wed Jul 27 2011 - 07:02:45 PDT)
[AMBER] Problem related to the RMSD and Atomic fluctuation
- case (Sun Jul 17 2011 - 18:51:40 PDT)
- Sindrila Dutta banik (Sat Jul 16 2011 - 21:02:06 PDT)
[AMBER] Problem related to the Velocity correlation function
- Sindrila Dutta banik (Mon Jul 18 2011 - 05:01:40 PDT)
- Sindrila Dutta banik (Sun Jul 17 2011 - 21:31:45 PDT)
- Sindrila Dutta banik (Sat Jul 16 2011 - 22:48:16 PDT)
[AMBER] problem with addIons in tleap
- Wei Chen (Sat Jul 23 2011 - 14:12:56 PDT)
- Bill Ross (Sat Jul 23 2011 - 13:45:40 PDT)
- Wei Chen (Fri Jul 22 2011 - 13:55:58 PDT)
- Bill Ross (Fri Jul 22 2011 - 13:51:10 PDT)
- Thomas Cheatham III (Fri Jul 22 2011 - 12:33:59 PDT)
- Wei Chen (Fri Jul 22 2011 - 11:33:51 PDT)
- Wei Chen (Fri Jul 22 2011 - 11:28:41 PDT)
- Wei Chen (Fri Jul 22 2011 - 11:25:04 PDT)
- Hirdesh Kumar (Fri Jul 22 2011 - 05:37:51 PDT)
- David A Case (Fri Jul 22 2011 - 05:15:40 PDT)
- Daniel Roe (Fri Jul 22 2011 - 04:19:28 PDT)
- Wei Chen (Thu Jul 21 2011 - 22:22:36 PDT)
[AMBER] Problem with MMPBSA.py
- Roman Osman (Sat Jul 30 2011 - 11:04:31 PDT)
- Ray Luo, Ph.D. (Fri Jul 29 2011 - 15:51:22 PDT)
- Roman Osman (Fri Jul 29 2011 - 11:53:34 PDT)
- Roman Osman (Tue Jul 26 2011 - 17:52:54 PDT)
- Jason Swails (Tue Jul 26 2011 - 16:23:36 PDT)
- Ray Luo, Ph.D. (Tue Jul 26 2011 - 15:36:42 PDT)
- Roman Osman (Tue Jul 26 2011 - 15:23:58 PDT)
- Ray Luo, Ph.D. (Tue Jul 26 2011 - 15:21:05 PDT)
- Roman Osman (Tue Jul 26 2011 - 15:18:22 PDT)
- Seungyeul Yoo (Sat Jul 23 2011 - 08:05:08 PDT)
- Bill Miller III (Sat Jul 23 2011 - 05:57:50 PDT)
- Seungyeul Yoo (Fri Jul 22 2011 - 23:07:14 PDT)
- Jason Swails (Fri Jul 22 2011 - 18:30:41 PDT)
- Seungyeul Yoo (Fri Jul 22 2011 - 15:15:18 PDT)
[AMBER] Problem with removing Hydrogen in trajectory file using prtaj
- Daniel Roe (Wed Jul 27 2011 - 06:07:41 PDT)
- Daniel Roe (Wed Jul 27 2011 - 06:04:40 PDT)
- Devlina Chakravarty (Wed Jul 27 2011 - 05:23:17 PDT)
[AMBER] problem with running MMPBSA.py on a single frame
- Bill Miller III (Sun Jul 17 2011 - 09:49:39 PDT)
- Victor Ma (Thu Jul 14 2011 - 14:33:27 PDT)
- Victor Ma (Thu Jul 14 2011 - 14:10:22 PDT)
[AMBER] problem with type of pdb output.
- David A Case (Tue Jul 12 2011 - 12:46:49 PDT)
- Ben Roberts (Tue Jul 12 2011 - 11:51:50 PDT)
- lawrence awadetsi (Tue Jul 12 2011 - 11:07:33 PDT)
[AMBER] problem with unperturbed charge of the unit
- moitrayee.mbu.iisc.ernet.in (Fri Jul 22 2011 - 06:01:25 PDT)
[AMBER] problem with xleap
- Hirdesh Kumar (Fri Jul 22 2011 - 05:33:08 PDT)
- aneesh cna (Fri Jul 22 2011 - 05:30:41 PDT)
- Daniel Roe (Fri Jul 22 2011 - 04:10:21 PDT)
- aneesh cna (Thu Jul 21 2011 - 23:55:52 PDT)
[AMBER] problem with ZAFF
- moitrayee.mbu.iisc.ernet.in (Sun Jul 17 2011 - 07:52:47 PDT)
[AMBER] Problems installing AMBER 11
- Jason Swails (Wed Jul 27 2011 - 11:51:44 PDT)
- Carlos Sosa (Wed Jul 27 2011 - 10:25:39 PDT)
- Jason Swails (Tue Jul 26 2011 - 21:37:12 PDT)
- Carlos P Sosa (Tue Jul 26 2011 - 19:04:40 PDT)
[AMBER] Problems with density in aqueous solution
- Bill Ross (Wed Jul 06 2011 - 12:22:23 PDT)
- David A Case (Wed Jul 06 2011 - 04:47:13 PDT)
- tommaso.casalini.mail.polimi.it (Wed Jul 06 2011 - 03:05:11 PDT)
[AMBER] protein-ligand-metal complex simulation
- David A Case (Fri Jul 22 2011 - 05:24:57 PDT)
- Sangeetha B (Fri Jul 22 2011 - 03:18:40 PDT)
- Sangeetha B (Wed Jul 20 2011 - 03:25:17 PDT)
[AMBER] ptraj analysis problems - protein leaving the box
- Daniel Roe (Wed Jul 06 2011 - 10:06:18 PDT)
- Daniel Scott (Wed Jul 06 2011 - 09:14:43 PDT)
[AMBER] Ptraj and glibc error
- Maura Catherine Mooney (Tue Jul 26 2011 - 17:34:37 PDT)
[AMBER] ptraj can not read NC file. and not succeed in apply patch.
- hai wei (Sat Jul 23 2011 - 15:41:49 PDT)
- Daniel Roe (Fri Jul 22 2011 - 04:05:44 PDT)
- hai wei (Fri Jul 22 2011 - 01:22:46 PDT)
[AMBER] ptraj closest water
- Daniel Roe (Mon Jul 18 2011 - 10:23:07 PDT)
- George Tzotzos (Mon Jul 18 2011 - 09:49:28 PDT)
- Carlos Simmerling (Mon Jul 18 2011 - 09:24:11 PDT)
- Daniel Roe (Mon Jul 18 2011 - 09:19:20 PDT)
- George Tzotzos (Mon Jul 18 2011 - 09:16:32 PDT)
- Carlos Simmerling (Mon Jul 18 2011 - 09:06:46 PDT)
- George Tzotzos (Mon Jul 18 2011 - 09:00:59 PDT)
[AMBER] Query about switch function using AMBER ff99SB forcefield and NAMD simulation code
- Carlos Simmerling (Tue Jul 19 2011 - 08:16:05 PDT)
- Madhurima Jana (Tue Jul 19 2011 - 04:42:07 PDT)
[AMBER] question about possible failures during Amber10 and AmberTools1.2
- Jason Swails (Sat Jul 30 2011 - 13:45:20 PDT)
- Gordon Freeman (Fri Jul 29 2011 - 06:58:02 PDT)
[AMBER] reference for GLYCAM_06 force field
- Lachele Foley (Lists) (Tue Jul 05 2011 - 07:08:39 PDT)
- Sushil Mishra (Mon Jul 04 2011 - 22:49:47 PDT)
- subrata paul (Mon Jul 04 2011 - 22:14:34 PDT)
[AMBER] Regarding "Total unperturbed charge: -0.507900" on CYP1A1
- steinbrt.rci.rutgers.edu (Wed Jul 13 2011 - 13:26:07 PDT)
- Prajwal Nandekar (Wed Jul 13 2011 - 11:44:54 PDT)
[AMBER] regarding amber anal calculation
- Adrian Roitberg (Tue Jul 12 2011 - 00:37:32 PDT)
- dhilip kumar ramalingam (Mon Jul 11 2011 - 22:07:05 PDT)
[AMBER] regarding hydrogen bonding
- DEBOSTUTI GHOSHDASTIDAR (Thu Jul 14 2011 - 23:16:51 PDT)
- dhilip kumar ramalingam (Thu Jul 14 2011 - 01:35:41 PDT)
[AMBER] regarding per residue wise free energy decomposition
- Hirdesh Kumar (Mon Jul 04 2011 - 22:26:05 PDT)
[AMBER] Regarding umbrella sampling
- jani vinod (Thu Jul 21 2011 - 02:26:28 PDT)
- Daniel Sindhikara (Wed Jul 20 2011 - 06:26:46 PDT)
- jani vinod (Tue Jul 19 2011 - 21:00:41 PDT)
- jani vinod (Mon Jul 18 2011 - 01:42:40 PDT)
[AMBER] Registration open - AMBER Workshop in Shanghai, China, August 22-26, 2011
- Andreas Goetz (Mon Jul 04 2011 - 01:00:46 PDT)
[AMBER] Related to the correlation function
- case (Mon Jul 18 2011 - 08:07:52 PDT)
- Sindrila Dutta banik (Mon Jul 18 2011 - 07:55:25 PDT)
[AMBER] REMD doubt : how to know the protein is not trapped in a conformation
- Rajeswari A. (Thu Jul 21 2011 - 23:58:32 PDT)
- Daniel Sindhikara (Thu Jul 21 2011 - 06:25:12 PDT)
- Rajeswari A. (Thu Jul 21 2011 - 04:17:02 PDT)
[AMBER] renum water
- Jacopo Sgrignani (Thu Jul 14 2011 - 01:50:06 PDT)
[AMBER] reproducing a simulation
- Jason Swails (Sat Jul 23 2011 - 09:34:13 PDT)
- Xiao Chen (Sat Jul 23 2011 - 05:45:47 PDT)
- Jason Swails (Fri Jul 22 2011 - 07:33:37 PDT)
- Xiao Chen (Fri Jul 22 2011 - 04:34:35 PDT)
[AMBER] Restrained MD
- Ozen, Aysegul (Fri Jul 15 2011 - 10:44:58 PDT)
- Dmitry Nilov (Fri Jul 15 2011 - 01:45:46 PDT)
- Carlos Simmerling (Thu Jul 14 2011 - 14:22:21 PDT)
- Ozen, Aysegul (Thu Jul 14 2011 - 09:10:19 PDT)
[AMBER] Running Amber 11 simulations using pmemd.cuda.MPI
- Scott Le Grand (Wed Jul 06 2011 - 10:34:36 PDT)
- Ross Walker (Wed Jul 06 2011 - 08:54:42 PDT)
- Baker D.J. (Wed Jul 06 2011 - 08:45:56 PDT)
- Ross Walker (Tue Jul 05 2011 - 08:57:44 PDT)
- Baker D.J. (Tue Jul 05 2011 - 08:42:00 PDT)
- Gould, Ian R (Tue Jul 05 2011 - 08:32:03 PDT)
- Baker D.J. (Tue Jul 05 2011 - 08:26:15 PDT)
- Gould, Ian R (Tue Jul 05 2011 - 08:21:41 PDT)
- Baker D.J. (Tue Jul 05 2011 - 07:57:07 PDT)
[AMBER] Sander Compilation Problem
- Ali Faruqi (Sun Jul 03 2011 - 21:22:27 PDT)
- Jason Swails (Sun Jul 03 2011 - 12:14:47 PDT)
[AMBER] sander job crashed
- MUSTAFA BUGHIO (Mon Jul 11 2011 - 11:09:57 PDT)
- Ben Roberts (Mon Jul 11 2011 - 08:24:21 PDT)
- MUSTAFA BUGHIO (Fri Jul 08 2011 - 07:50:07 PDT)
- MUSTAFA BUGHIO (Fri Jul 08 2011 - 07:44:35 PDT)
- Ben Roberts (Fri Jul 08 2011 - 04:59:23 PDT)
- MUSTAFA BUGHIO (Fri Jul 08 2011 - 01:02:23 PDT)
- Ben Roberts (Thu Jul 07 2011 - 17:02:30 PDT)
- MUSTAFA BUGHIO (Thu Jul 07 2011 - 04:37:53 PDT)
[AMBER] sander problem
- Carlos Simmerling (Thu Jul 28 2011 - 11:26:08 PDT)
- lawrence awadetsi (Thu Jul 28 2011 - 11:19:32 PDT)
- Carlos Simmerling (Thu Jul 28 2011 - 11:00:20 PDT)
- lawrence awadetsi (Thu Jul 28 2011 - 10:48:38 PDT)
- manikanthan bhavaraju (Tue Jul 12 2011 - 21:02:03 PDT)
- souvik sur (Tue Jul 12 2011 - 20:43:24 PDT)
- Jason Swails (Thu Jul 07 2011 - 07:28:44 PDT)
- David A Case (Thu Jul 07 2011 - 04:46:32 PDT)
- Hirdesh Kumar (Thu Jul 07 2011 - 02:24:41 PDT)
- souvik sur (Thu Jul 07 2011 - 02:08:52 PDT)
[AMBER] sander.MPI is running on 8 nodes, but the output says it is running on 1 nodes
- Jason Swails (Fri Jul 22 2011 - 13:48:58 PDT)
- M Kang (Fri Jul 22 2011 - 11:36:49 PDT)
[AMBER] sander11
- Adrian Roitberg (Mon Jul 04 2011 - 03:56:23 PDT)
- haris p (Mon Jul 04 2011 - 03:54:03 PDT)
[AMBER] scee=scnb=1
- Ross Walker (Wed Jul 06 2011 - 11:02:12 PDT)
- subrata paul (Wed Jul 06 2011 - 10:57:26 PDT)
[AMBER] Script to run mm_pbsa.pl for ENTROPY calculation in parallel on workstation
- Bill Miller III (Wed Jul 27 2011 - 03:26:50 PDT)
- Azat Mukhametov (Wed Jul 27 2011 - 03:20:42 PDT)
[AMBER] segmentation fault on tleap
- Giorgos Lamprinidis (Wed Jul 06 2011 - 00:58:48 PDT)
- Daniel Roe (Tue Jul 05 2011 - 09:20:02 PDT)
- David A Case (Tue Jul 05 2011 - 09:02:40 PDT)
- Giorgos Lamprinidis (Tue Jul 05 2011 - 08:48:03 PDT)
- Daniel Roe (Tue Jul 05 2011 - 08:43:48 PDT)
- Giorgos Lamprinidis (Tue Jul 05 2011 - 08:32:14 PDT)
[AMBER] selective qmshake?
- Jason Swails (Tue Jul 26 2011 - 16:57:29 PDT)
- Brian Radak (Tue Jul 26 2011 - 11:29:50 PDT)
- Ross Walker (Tue Jul 26 2011 - 09:40:40 PDT)
- Vitor Felix (Tue Jul 26 2011 - 09:20:11 PDT)
- Adrian Roitberg (Tue Jul 26 2011 - 09:03:43 PDT)
- Brian Radak (Tue Jul 26 2011 - 08:57:10 PDT)
[AMBER] sleap and ptraj output issue with terminal residues
- case (Sun Jul 10 2011 - 18:39:10 PDT)
- Kevin Wiehe (Fri Jul 08 2011 - 21:45:54 PDT)
[AMBER] sleap cannot deal with lipids?
- Lachele Foley (Lists) (Wed Jul 06 2011 - 07:08:46 PDT)
- Tomoshi Kameda (Wed Jul 06 2011 - 05:26:10 PDT)
- David A Case (Wed Jul 06 2011 - 04:33:36 PDT)
- Tomoshi Kameda (Tue Jul 05 2011 - 20:27:09 PDT)
- Lachele Foley (Lists) (Tue Jul 05 2011 - 10:10:43 PDT)
- Tomoshi Kameda (Tue Jul 05 2011 - 09:12:18 PDT)
- Lachele Foley (Lists) (Tue Jul 05 2011 - 07:10:44 PDT)
- Tomoshi Kameda (Mon Jul 04 2011 - 23:09:32 PDT)
[AMBER] Sorry
- Sindrila Dutta banik (Thu Jul 28 2011 - 03:29:38 PDT)
[AMBER] Steered dynamics related questions
- Sergey Samsonov (Thu Jul 28 2011 - 02:49:41 PDT)
- Daniel Roe (Tue Jul 26 2011 - 13:26:03 PDT)
- Bruno Rodrigues (Tue Jul 26 2011 - 12:31:45 PDT)
- Adrian Roitberg (Tue Jul 26 2011 - 12:21:17 PDT)
- Bruno Rodrigues (Tue Jul 26 2011 - 12:15:45 PDT)
- Bill Ross (Tue Jul 26 2011 - 10:52:55 PDT)
- Dmitry Nilov (Tue Jul 26 2011 - 08:03:28 PDT)
- Sergey Samsonov (Tue Jul 26 2011 - 03:49:50 PDT)
- Adrian Roitberg (Tue Jul 26 2011 - 03:01:05 PDT)
- Sergey Samsonov (Tue Jul 26 2011 - 02:32:22 PDT)
[AMBER] Steered MD using pmemd.cuda ?
- Marek Maly (Thu Jul 14 2011 - 10:19:21 PDT)
- Ross Walker (Thu Jul 14 2011 - 10:24:49 PDT)
- Marek Maly (Thu Jul 14 2011 - 09:51:21 PDT)
[AMBER] SYBYL to GAFF atom types
- David Cantu (Wed Jul 27 2011 - 08:08:30 PDT)
- case (Wed Jul 27 2011 - 06:57:56 PDT)
- David Cantu (Tue Jul 26 2011 - 09:36:52 PDT)
[AMBER] Thanks
- Sindrila Dutta banik (Sat Jul 16 2011 - 22:43:41 PDT)
[AMBER] the picture of secstruct and the analysis of Hbond
- qiao xue (Tue Jul 12 2011 - 18:57:54 PDT)
[AMBER] Tleap problem with save prmtop and inpcrd file. can someone give me advice?
- hai wei (Mon Jul 18 2011 - 15:51:52 PDT)
- hai wei (Sun Jul 17 2011 - 17:32:55 PDT)
- Jason Swails (Sun Jul 17 2011 - 15:04:43 PDT)
- hai wei (Sun Jul 17 2011 - 15:00:38 PDT)
- Jason Swails (Sun Jul 17 2011 - 03:55:09 PDT)
- hai wei (Sun Jul 17 2011 - 00:27:21 PDT)
[AMBER] TR: Antechamber trouble with COA-acyl chain
- Erin Kelly (Wed Jul 13 2011 - 10:51:06 PDT)
- Adrian Roitberg (Wed Jul 13 2011 - 10:47:21 PDT)
- Erin Kelly (Wed Jul 13 2011 - 10:43:44 PDT)
- intra\\sa175950 (Wed Jul 13 2011 - 09:03:23 PDT)
- Erin Kelly (Wed Jul 13 2011 - 08:56:34 PDT)
- intra\\sa175950 (Wed Jul 13 2011 - 08:34:36 PDT)
[AMBER] Undefined symbols when compiling AMBER11 on Mac OSX 10.6
- Takeshi Baba (Tue Jul 26 2011 - 18:53:13 PDT)
- Daniel Sindhikara (Tue Jul 26 2011 - 02:41:23 PDT)
- Jason Swails (Mon Jul 25 2011 - 18:32:17 PDT)
- Daniel Sindhikara (Mon Jul 25 2011 - 01:26:29 PDT)
- Takeshi Baba (Mon Jul 25 2011 - 01:04:52 PDT)
- Daniel Sindhikara (Mon Jul 25 2011 - 00:10:37 PDT)
- Takeshi Baba (Wed Jul 13 2011 - 22:10:25 PDT)
- Daniel Sindhikara (Wed Jul 13 2011 - 19:44:45 PDT)
- Takeshi Baba (Wed Jul 13 2011 - 04:28:03 PDT)
- Daniel Sindhikara (Wed Jul 13 2011 - 04:01:11 PDT)
- Takeshi Baba (Tue Jul 12 2011 - 07:42:12 PDT)
- David A Case (Tue Jul 12 2011 - 05:09:11 PDT)
- Daniel Roe (Tue Jul 12 2011 - 05:07:08 PDT)
- Daniel Sindhikara (Tue Jul 12 2011 - 04:35:05 PDT)
[AMBER] Urea box: artifacts or just a special distribution?
- Na Le Dang (Thu Jul 21 2011 - 07:53:23 PDT)
- Bill Ross (Wed Jul 20 2011 - 16:12:42 PDT)
- Bill Ross (Wed Jul 20 2011 - 12:27:47 PDT)
- David A Case (Wed Jul 20 2011 - 09:41:58 PDT)
- Na Le Dang (Wed Jul 20 2011 - 08:57:58 PDT)
[AMBER] using Mg with ff99SB
- Takeshi Baba (Thu Jun 30 2011 - 18:12:46 PDT)
[AMBER] using sleap to load mol2 files
- case (Mon Jul 04 2011 - 06:15:03 PDT)
[AMBER] using zaff parameters
- moitrayee.mbu.iisc.ernet.in (Sun Jul 17 2011 - 11:11:48 PDT)
[AMBER] vdW issues during TI
- Emmanuel Baribefe Naziga (Tue Jul 26 2011 - 17:14:01 PDT)
- Niel Henriksen (Tue Jul 26 2011 - 15:00:58 PDT)
- Emmanuel Baribefe Naziga (Tue Jul 26 2011 - 11:11:57 PDT)
[AMBER] Volume of a Cavity
- Sindrila Dutta banik (Fri Jul 29 2011 - 03:08:31 PDT)
[AMBER] When and how is leap re-numbering residues?
- Jan-Philip Gehrcke (Wed Jul 13 2011 - 06:08:15 PDT)
- David A Case (Wed Jul 13 2011 - 05:11:55 PDT)
- Jan-Philip Gehrcke (Tue Jul 12 2011 - 06:27:19 PDT)
[AMBER] XLEaP parameters for nonstandard residues
- Julia Blum (Tue Jul 12 2011 - 06:31:28 PDT)
- case (Fri Jul 08 2011 - 13:26:54 PDT)
- Ilyas Yildirim (Fri Jul 08 2011 - 10:49:56 PDT)
- Julia Blum (Fri Jul 08 2011 - 09:26:04 PDT)
- Ilyas Yildirim (Fri Jul 08 2011 - 07:29:58 PDT)
- Julia Blum (Fri Jul 08 2011 - 07:05:51 PDT)
[AMBER] xleap problem
- Elisa Frezza (Fri Jul 08 2011 - 05:51:26 PDT)
- David A Case (Thu Jul 07 2011 - 10:01:43 PDT)
- Elisa Frezza (Thu Jul 07 2011 - 08:26:20 PDT)
- David A Case (Thu Jul 07 2011 - 08:22:51 PDT)
- Elisa Frezza (Thu Jul 07 2011 - 08:13:06 PDT)
- Elisa Frezza (Thu Jul 07 2011 - 07:40:43 PDT)
- David A Case (Thu Jul 07 2011 - 07:24:06 PDT)
- Elisa Frezza (Thu Jul 07 2011 - 06:37:35 PDT)
[AMBER] ZAFF parameters: non integral charge
- moitrayee.mbu.iisc.ernet.in (Fri Jul 22 2011 - 06:27:50 PDT)
[AMBER] Zero values for gbsur
- Daniel Aiello (Tue Jul 19 2011 - 06:36:33 PDT)
[AMBER] zinc parameters
- Gustavo Seabra (Tue Jul 12 2011 - 22:19:53 PDT)
- Oliver Kuhn (Tue Jul 12 2011 - 12:08:48 PDT)
- Gustavo Seabra (Tue Jul 12 2011 - 11:42:32 PDT)
- Oliver Kuhn (Tue Jul 12 2011 - 10:29:44 PDT)
- Ben Roberts (Tue Jul 12 2011 - 10:11:01 PDT)
- Sel Ercan (Tue Jul 12 2011 - 10:00:56 PDT)

Amber Archive Jul 2011 by subject