Amber Archive Apr 2010 by thread
- Re: [AMBER] reg-Generalized Born Approach maya maya (Wed Mar 31 2010 - 21:49:20 PDT)
- [AMBER] antechamber monica.imtech.res.in (Wed Mar 31 2010 - 23:57:43 PDT)
- Re: [AMBER] Problem with solvationbox command monica.imtech.res.in (Thu Apr 01 2010 - 02:08:32 PDT)
- [AMBER] QMMM Iron Dmitry Mukha (Thu Apr 01 2010 - 02:15:23 PDT)
- [AMBER] QMMM Iron Dmitry Mukha (Thu Apr 01 2010 - 03:07:08 PDT)
- [AMBER] SASA Beale, John (Thu Apr 01 2010 - 03:39:26 PDT)
- [AMBER] Problems during AMBER 10 compilation. Zuzanna K. Scigacz (Thu Apr 01 2010 - 05:10:16 PDT)
- [AMBER] Water models ? xuemeiwang1103 (Thu Apr 01 2010 - 06:01:05 PDT)
- [AMBER] SANDER BOMB in subroutine sc_check_and_adjust Atom coordinate disagreement imtiaz shafiq (Thu Apr 01 2010 - 06:15:20 PDT)
- [AMBER] correct syntax for assinging scmask to two atoms of different molecules imtiaz shafiq (Thu Apr 01 2010 - 07:00:47 PDT)
- [AMBER] Segmentation Fault Beale, John (Thu Apr 01 2010 - 11:52:34 PDT)
- [AMBER] How to perform backbone and residues restraint at the same time Rilei Yu (Thu Apr 01 2010 - 19:20:55 PDT)
- [AMBER] Problem with an output file lee lior (Thu Apr 01 2010 - 21:00:49 PDT)
- [AMBER] how to achieve the 2D periodic boundary kecy_w.sina.com (Fri Apr 02 2010 - 06:59:53 PDT)
- [AMBER] problem with frcmod parameter pxq (Fri Apr 02 2010 - 07:50:59 PDT)
- [AMBER] Regarding RDF calculation in Ptraj aneesh cna (Fri Apr 02 2010 - 21:49:06 PDT)
- [AMBER] thermodynamic integration Hyma vathi (Fri Apr 02 2010 - 23:00:12 PDT)
- [AMBER] COOH group:extra undesired bond::NO reply :-( Jio M (Fri Apr 02 2010 - 23:34:45 PDT)
- [AMBER] problem when doing bond in tleap pxq (Sat Apr 03 2010 - 00:32:59 PDT)
- [AMBER] MMPBSA-on-cluster Rilei Yu (Sat Apr 03 2010 - 02:47:31 PDT)
- [AMBER] 转发: MMPBSA-on-cluster Rilei Yu (Sat Apr 03 2010 - 03:15:25 PDT)
- [AMBER] MMPBSA-ON-CLUSTER Rilei Yu (Sat Apr 03 2010 - 03:17:47 PDT)
- [AMBER] Sorry for my multiple-email (making mistake!) Rilei Yu (Sat Apr 03 2010 - 05:12:51 PDT)
- [AMBER] makeANG_rst values Andrew Olson (Sat Apr 03 2010 - 14:52:42 PDT)
- [AMBER] rna simulation Asfa Ali (Sun Apr 04 2010 - 22:42:33 PDT)
- [AMBER] antechamber monica.imtech.res.in (Sun Apr 04 2010 - 22:52:36 PDT)
- [AMBER] undo iwrap wrapping Paul Brandt (Mon Apr 05 2010 - 00:21:22 PDT)
- [AMBER] error in reading namelist cntrl Hyma vathi (Mon Apr 05 2010 - 05:17:26 PDT)
- [AMBER] not sure of the atomtype in .prep pxq (Mon Apr 05 2010 - 06:02:35 PDT)
- [AMBER] amber10 installation on SGI IRIX 6.5 Eruysal, Ferdi (Mon Apr 05 2010 - 13:37:49 PDT)
- Re: [AMBER] amber10 installation on SGI IRIX 6.5 Bill Ross (Mon Apr 05 2010 - 13:44:33 PDT)
- [AMBER] ligand exchange John S (Mon Apr 05 2010 - 15:05:34 PDT)
- [AMBER] Unit of atomic fluctuation unit nicholus bhattacharjee (Mon Apr 05 2010 - 22:39:26 PDT)
- [AMBER] antechamber Asfa Ali (Tue Apr 06 2010 - 00:30:13 PDT)
- [AMBER] USING PTRAJ TO PROCESS PMEMD TRAJECTORY COORDINTES DATA Juan Carlos (Tue Apr 06 2010 - 00:35:40 PDT)
- [AMBER] Unit of analyze modes with ptraj Samuel Genheden (Tue Apr 06 2010 - 02:54:28 PDT)
- [AMBER] Files for Charged serine in proteins? Dean Cuebas (Tue Apr 06 2010 - 09:39:04 PDT)
- [AMBER] radius of gyration Ganesh Kamath (Tue Apr 06 2010 - 11:43:22 PDT)
- [AMBER] question about EVB Ganesh Kamath (Tue Apr 06 2010 - 11:45:28 PDT)
- [AMBER] COOH group:extra undesired bond Jio M (Tue Apr 06 2010 - 21:09:31 PDT)
- Re: [AMBER] AMBER10 installation: make test error 1 Anna Dejardin (Wed Apr 07 2010 - 02:47:39 PDT)
- Re: [AMBER] Energy units in mm-pbsa calculations moitrayee.mbu.iisc.ernet.in (Wed Apr 07 2010 - 05:42:24 PDT)
- [AMBER] Traceback: not available, complile with -ftrace = frame Yunfen Wang (Wed Apr 07 2010 - 06:56:33 PDT)
- [AMBER] Amber99FFSB parameter files for Gaussian Senthil Natesan (Wed Apr 07 2010 - 07:43:15 PDT)
- [AMBER] amber 5 manual William Flak (Wed Apr 07 2010 - 08:10:26 PDT)
- [AMBER] dummy atom William Flak (Wed Apr 07 2010 - 08:21:31 PDT)
- [AMBER] Chirality Restraint Ilyas Yildirim (Wed Apr 07 2010 - 10:46:25 PDT)
- [AMBER] Umbrella Sampling with distances; setting of r1 and r4 in the restraint Matthias Wildauer (Wed Apr 07 2010 - 11:04:45 PDT)
- [AMBER] non bonded interactions (vanderwaal and electrostatic) Ganesh Kamath (Wed Apr 07 2010 - 11:44:04 PDT)
- [AMBER] energy decomposition Ganesh Kamath (Wed Apr 07 2010 - 14:29:08 PDT)
- [AMBER] contiguous trajectory without iwrap=1 Emmanuel Baribefe Naziga (Wed Apr 07 2010 - 16:03:34 PDT)
- Re: [AMBER] contiguous trajectory without iwrap=1 Bill Ross (Wed Apr 07 2010 - 16:11:15 PDT)
- [AMBER] Ptraj Problem Jagdeesh C (Wed Apr 07 2010 - 21:35:57 PDT)
- [AMBER] question on section 2 of MM-PBSA tutorial Andrew Voronkov (Thu Apr 08 2010 - 00:14:17 PDT)
- [AMBER] Fortran runtime error :bad value duiring floating point read Yunfen Wang (Thu Apr 08 2010 - 03:05:50 PDT)
- [AMBER] regGB maya maya (Thu Apr 08 2010 - 03:51:23 PDT)
- [AMBER] mmpbsa-job-killed Rilei Yu (Thu Apr 08 2010 - 04:07:25 PDT)
- [AMBER] angle force constants in GAFF João Sardinha (Thu Apr 08 2010 - 04:11:00 PDT)
- [AMBER] I do need your help, please William Flak (Thu Apr 08 2010 - 12:04:50 PDT)
- [AMBER] multiconformational RESP fitting with antechamber Yi Shang (Thu Apr 08 2010 - 12:28:12 PDT)
- [AMBER] developing amber force field Necmettin Pirinccioglu (Thu Apr 08 2010 - 12:46:10 PDT)
- [AMBER] vlimit exceeded for step Rilei Yu (Thu Apr 08 2010 - 23:52:31 PDT)
- [AMBER] Solvent Beale, John (Fri Apr 09 2010 - 08:41:51 PDT)
- [AMBER] Fwd: .rst file corrupted manikanthan bhavaraju (Fri Apr 09 2010 - 08:48:52 PDT)
- [AMBER] AmberTool1.3 - problem with reading .gz trajectory file & failure with lmod optimization test Ibrahim Moustafa (Fri Apr 09 2010 - 15:40:47 PDT)
- [AMBER] Install AMBER problem. Trojan 007 (Fri Apr 09 2010 - 16:07:53 PDT)
- [AMBER] slightly off topic: suggestions for DNA single strand simulations Amedeo Capobianco (Sun Apr 11 2010 - 14:11:02 PDT)
- [AMBER] problem with XLEAP on X-client run on windows machine... Babu Kannappan (Mon Apr 12 2010 - 06:22:37 PDT)
- [AMBER] distrbuting an excess charge Homa Azizian (Sun Apr 11 2010 - 22:50:30 PDT)
- [AMBER] RAMD gokul algates (Sun Apr 11 2010 - 22:51:39 PDT)
- [AMBER] regarding antechamber Asfa Ali (Sun Apr 11 2010 - 23:17:11 PDT)
- [AMBER] Installation on sles11 on ibm-power6-cpus German Erlenkamp (Mon Apr 12 2010 - 00:50:15 PDT)
- [AMBER] Warning in readAmber trajectory():Set #7659 is corrupted (3.)... Silvia Carlotto (Mon Apr 12 2010 - 02:08:50 PDT)
- [AMBER] vacuum bubbles generated after heating Nicee (Mon Apr 12 2010 - 02:59:32 PDT)
- [AMBER] PROBLEM WITH PMEMD PERFORMANCE Juan Carlos (Mon Apr 12 2010 - 03:24:12 PDT)
- [AMBER] Does the frequency of output affect MD simulation in AMBER10? Nancy (Mon Apr 12 2010 - 04:06:05 PDT)
- [AMBER] Second Request Dima A Sabbah (Mon Apr 12 2010 - 06:59:56 PDT)
- [AMBER] trying to use antechamber with -nc 0 for a molecule Alan (Mon Apr 12 2010 - 07:03:13 PDT)
- [AMBER] how to pick certain water molecular from a .mdcrd pxq (Mon Apr 12 2010 - 07:08:38 PDT)
- [AMBER] Vlimit error in ABMD Emmanuel Baribefe Naziga (Mon Apr 12 2010 - 09:06:44 PDT)
- [AMBER] Amber11, pure QM PBC aapeters.ncsu.edu (Mon Apr 12 2010 - 09:07:26 PDT)
- Re: [AMBER] vacuum bubbles generated after heating Bill Ross (Mon Apr 12 2010 - 10:41:30 PDT)
- [AMBER] Amber10 Cuda compile failure aapeters.ncsu.edu (Mon Apr 12 2010 - 14:35:49 PDT)
- [AMBER] Is the variation of C-Cl bond length normal? Shulin Zhuang (Mon Apr 12 2010 - 15:26:12 PDT)
- [AMBER] Regarding parameter files of dna-lig complex Asfa Ali (Mon Apr 12 2010 - 23:08:18 PDT)
- [AMBER] how to pick certain water molecular from a .mdcrd pxq (Mon Apr 12 2010 - 23:35:08 PDT)
- [AMBER] loadmol2 Segmentation fault Rui Li (Tue Apr 13 2010 - 02:55:34 PDT)
- [AMBER] How to prepare the two tolopogy files when doing TI calculation? fancy2012 (Tue Apr 13 2010 - 05:29:17 PDT)
- [AMBER] Asking help for some analysis section nicholus bhattacharjee (Tue Apr 13 2010 - 07:04:03 PDT)
- Re: [AMBER] Regarding parameter files of dna-lig complex Bill Ross (Tue Apr 13 2010 - 10:01:14 PDT)
- [AMBER] amber <-> desmond conversion tools Parish, Carol (Tue Apr 13 2010 - 11:13:22 PDT)
- [AMBER] regarding parameter file creation of dna-lig complex Asfa Ali (Tue Apr 13 2010 - 12:37:15 PDT)
- Re: [AMBER] regarding parameter file creation of dna-lig complex Bill Ross (Tue Apr 13 2010 - 13:29:25 PDT)
- [AMBER] About restart-job Rilei Yu (Tue Apr 13 2010 - 15:48:14 PDT)
- [AMBER] Chirality of amines in GAFF Dmitry Nilov (Wed Apr 14 2010 - 00:43:47 PDT)
- [AMBER] the volume is always getting bigger and bigger until crash Yunfen Wang (Wed Apr 14 2010 - 00:56:11 PDT)
- [AMBER] periodic boundary condition juan zeng (Wed Apr 14 2010 - 02:34:40 PDT)
- [AMBER] 1-4 EEL Jio M (Wed Apr 14 2010 - 04:44:08 PDT)
- [AMBER] (no subject) Waad RHAIEM (Wed Apr 14 2010 - 07:12:15 PDT)
- [AMBER] RAMD random number generator Waad RHAIEM (Wed Apr 14 2010 - 07:20:59 PDT)
- [AMBER] Thole screening in sander Diddo Diddens (Wed Apr 14 2010 - 07:31:23 PDT)
- [AMBER] NMR refinment issues rolandmarques.aol.com (Wed Apr 14 2010 - 09:17:44 PDT)
- [AMBER] Entropy-problem Rilei Yu (Wed Apr 14 2010 - 15:11:36 PDT)
- [AMBER] Trajectory Smoothing Ganesh Krishnan (Wed Apr 14 2010 - 19:23:15 PDT)
- [AMBER] PMEMD.CUDA on GTX275 Levi Pierce (Wed Apr 14 2010 - 21:36:40 PDT)
- [AMBER] 1-4 EEL Jio M (Thu Apr 15 2010 - 00:47:40 PDT)
- Re: [AMBER] Trajectory Smoothing Bill Ross (Thu Apr 15 2010 - 07:47:22 PDT)
- Re: [AMBER] 1-4 EEL Bill Ross (Thu Apr 15 2010 - 07:56:47 PDT)
- [AMBER] Steered/Targeted MD Ahmad, Rafi (Thu Apr 15 2010 - 09:08:46 PDT)
- [AMBER] Unit of analyze modes with ptraj Samuel Genheden (Thu Apr 15 2010 - 11:22:21 PDT)
- [AMBER] radius of gyration Ganesh Kamath (Thu Apr 15 2010 - 12:42:29 PDT)
- [AMBER] BOND TYPE Homa Azizian (Thu Apr 15 2010 - 18:46:49 PDT)
- [AMBER] Nucleic acid aperture Fernando Martín García (Fri Apr 16 2010 - 01:52:34 PDT)
- [AMBER] chirality restraints for non-standard residue Jio M (Fri Apr 16 2010 - 04:15:08 PDT)
- [AMBER] problem in MMPBSA zgong.hust (Fri Apr 16 2010 - 06:23:57 PDT)
- [AMBER] PMEMD missing type? - bugfix Josh Berryman (Fri Apr 16 2010 - 06:25:01 PDT)
- [AMBER] how is pH treated in Amber - other than constant pH simulations Andrew Voronkov (Fri Apr 16 2010 - 08:44:36 PDT)
- Re: [AMBER] BOND TYPE Bill Ross (Fri Apr 16 2010 - 09:26:47 PDT)
- [AMBER] QM/MM + PIMD aapeters.ncsu.edu (Fri Apr 16 2010 - 10:36:19 PDT)
- [AMBER] Fwd: Re: RE: question on section 2 of MM-PBSA tutorial Andrew Voronkov (Fri Apr 16 2010 - 13:57:54 PDT)
- [AMBER] RE: RE: question on section 2 of MM-PBSA tutorial Ross Walker (Fri Apr 16 2010 - 18:29:31 PDT)
- [AMBER] analysis for solvation effect for protein Yunfen Wang (Sat Apr 17 2010 - 01:21:14 PDT)
- [AMBER] error when running mmpbsa pxq (Sat Apr 17 2010 - 07:25:35 PDT)
- [AMBER] how do MM_PBSA without water geyan (Sun Apr 18 2010 - 00:48:06 PDT)
- [AMBER] Force constant William Flak (Sun Apr 18 2010 - 08:54:55 PDT)
- [AMBER] make a new residue FAD-CYS 030081094 (Mon Apr 19 2010 - 00:29:26 PDT)
- [AMBER] how to add a gradually reduced restraint Jianing (Mon Apr 19 2010 - 02:07:00 PDT)
- [AMBER] regarding running Nudged Elastic Band Approach with amber10 jani vinod (Mon Apr 19 2010 - 02:18:29 PDT)
- [AMBER] Simulation of complex Asfa Ali (Mon Apr 19 2010 - 08:22:17 PDT)
- Re: [AMBER] Simulation of complex Bill Ross (Mon Apr 19 2010 - 09:48:56 PDT)
- [AMBER] elevated temperature MD Steve Seibold (Mon Apr 19 2010 - 10:10:08 PDT)
- [AMBER] remove water from system Yunfen Wang (Tue Apr 20 2010 - 01:09:01 PDT)
- [AMBER] How is possible in amber to discriminate by names between protonated\deprotonated C- and N- terminal amido and carboxylic groups? Andrew Voronkov (Tue Apr 20 2010 - 03:23:15 PDT)
- [AMBER] Error: Sander output is missing values Hyma vathi (Tue Apr 20 2010 - 03:31:32 PDT)
- [AMBER] mm-pbsa: self assembly vijayaraj.clri.res.in (Tue Apr 20 2010 - 04:45:42 PDT)
- [AMBER] Strange atom charge in topology file pellegrini (Tue Apr 20 2010 - 06:20:33 PDT)
- [AMBER] Request for MD protocol George Tzotzos (Tue Apr 20 2010 - 07:07:11 PDT)
- [AMBER] elevated Temperature MD Steve Seibold (Tue Apr 20 2010 - 09:30:40 PDT)
- [AMBER] QM/MM cut problem aapeters.ncsu.edu (Tue Apr 20 2010 - 09:36:18 PDT)
- Re: [AMBER] Setup of defined salt concentrations Bill Ross (Tue Apr 20 2010 - 10:13:06 PDT)
- [AMBER] mutate function in NAB Alessandro Nascimento (Tue Apr 20 2010 - 11:11:41 PDT)
- [AMBER] The resonable way how to protonate protein for Amber simulation in explicit water ? Marek Maly (Tue Apr 20 2010 - 12:54:04 PDT)
- [AMBER] mm-pbsa *_com.all.out files moitrayee.mbu.iisc.ernet.in (Tue Apr 20 2010 - 23:07:55 PDT)
- [AMBER] Simulation of complex Asfa Ali (Wed Apr 21 2010 - 00:19:23 PDT)
- [AMBER] about parmjoin Alan (Wed Apr 21 2010 - 01:40:04 PDT)
- [AMBER] Do molecular dynamics in the limited space Yunjie Zhao (Wed Apr 21 2010 - 06:40:31 PDT)
- [AMBER] MOPAC2009 output results into antechamber Alex Boncheff (Wed Apr 21 2010 - 08:14:58 PDT)
- Re: [AMBER] Do molecular dynamics in the limited space Bill Ross (Wed Apr 21 2010 - 09:59:39 PDT)
- [AMBER] effect of pre-processor flags on pmemd? Thomas Zeiser (Wed Apr 21 2010 - 13:12:17 PDT)
- [AMBER] vdW question. ros (Wed Apr 21 2010 - 18:41:38 PDT)
- [AMBER] solvent accessible surface Yunfen Wang (Wed Apr 21 2010 - 20:27:11 PDT)
- [AMBER] regarding sqm Asfa Ali (Wed Apr 21 2010 - 23:51:32 PDT)
- [AMBER] A possible pmemd bug Lijiang Yang (Thu Apr 22 2010 - 04:59:42 PDT)
- [AMBER] Compiling pmemd (Amber 10) with OpenMPI, pathscale, etc. Paul S. Nerenberg (Thu Apr 22 2010 - 15:58:07 PDT)
- [AMBER] bond command Siddharth Rastogi (Thu Apr 22 2010 - 17:31:02 PDT)
- [AMBER] problem on running saveAmberParm tianyuan meng (Thu Apr 22 2010 - 18:54:39 PDT)
- [AMBER] H-bond analysis in ptraj Yunfen Wang (Thu Apr 22 2010 - 20:30:27 PDT)
- [AMBER] molecular surface area geyan (Thu Apr 22 2010 - 22:49:01 PDT)
- [AMBER] Hydrogen Bond Analysis - explanation needed Srivatsan (Fri Apr 23 2010 - 02:42:33 PDT)
- [AMBER] question about Amber Tutorial-A1 Rui Li (Fri Apr 23 2010 - 03:55:26 PDT)
- Re: [AMBER] H-bond analysis in ptraj Bill Ross (Fri Apr 23 2010 - 10:03:58 PDT)
- Re: [AMBER] problem on running saveAmberParm Bill Ross (Fri Apr 23 2010 - 10:27:27 PDT)
- [AMBER] PMEMD compiling errors Dian Jiao (Fri Apr 23 2010 - 11:25:47 PDT)
- [AMBER] problem with paiwise energy decomposition using mm-pbsa moitrayee.mbu.iisc.ernet.in (Fri Apr 23 2010 - 11:50:14 PDT)
- [AMBER] Antechamber, GAFF and methylimidazole typing Ben Roberts (Fri Apr 23 2010 - 14:32:57 PDT)
- [AMBER] about IGB geyan (Fri Apr 23 2010 - 18:08:51 PDT)
- [AMBER] pmemd.cuda problem Levi Pierce (Sat Apr 24 2010 - 16:18:57 PDT)
- [AMBER] RESP Iodine William Flak (Sun Apr 25 2010 - 04:52:21 PDT)
- [AMBER] The system has extended beyond the extent of the virtual box kamlesh sahu (Mon Apr 26 2010 - 01:31:23 PDT)
- [AMBER] WARNING: There is a bond of 8.894214 angstroms between Hyma vathi (Mon Apr 26 2010 - 02:19:30 PDT)
- [AMBER] Announcement: release of Amber11 and AmberTools 1.4 case (Mon Apr 26 2010 - 05:41:28 PDT)
- [AMBER] Comparing dihedral energy curves Lekpa Duukori (Mon Apr 26 2010 - 09:34:24 PDT)
- [AMBER] new ambertools folder distribution and Makefile_at Alan (Mon Apr 26 2010 - 09:58:12 PDT)
- [AMBER]Fortran runtime error: Bad value during integer read Ying Yang (Mon Apr 26 2010 - 23:59:54 PDT)
- [AMBER] ambertools 1.4, tests Alan (Tue Apr 27 2010 - 03:49:18 PDT)
- Fw: Fwd: Fw: Fw: [AMBER] The resonable way how to protonate protein for Amber simulation in explicit water ? Ramu Anandakrishnan (Tue Apr 27 2010 - 05:43:17 PDT)
- [AMBER] explicit water MMPBSA Cristina Sisu (Tue Apr 27 2010 - 06:54:56 PDT)
- Re: [AMBER] Addions grid ? Bill Ross (Tue Apr 27 2010 - 10:01:36 PDT)
- [AMBER] about skinnb liu junjun (Tue Apr 27 2010 - 10:08:48 PDT)
- [AMBER] ff99SB-ILDN Titus, Jamie (bairdje) (Tue Apr 27 2010 - 11:38:32 PDT)
- [AMBER] Constraint minimisation before MD simulation Amire-Brahimi Benjamin (Tue Apr 27 2010 - 14:48:31 PDT)
- [AMBER] how to load topology file Siddharth Rastogi (Tue Apr 27 2010 - 15:21:33 PDT)
- Re: [AMBER] how to load topology file Bill Ross (Tue Apr 27 2010 - 15:27:00 PDT)
- [AMBER] Question about RMSD in AMBER Yingjie Lin (Tue Apr 27 2010 - 17:42:55 PDT)
- [AMBER] question about cluster analysis Jianing (Tue Apr 27 2010 - 20:01:11 PDT)
- [AMBER] A bugfix for thiazole-imidazole rings Hasan Alniss (Wed Apr 28 2010 - 04:55:08 PDT)
- [AMBER] AMBER VS QM energy calculations for dihedrals Palermo Giulia (Wed Apr 28 2010 - 07:09:50 PDT)
- [AMBER] problem rejoining segmented out files in long simulation g t (Wed Apr 28 2010 - 08:04:59 PDT)
- [AMBER] Fortran runtime error: Bad value during integer read João Henriques (Wed Apr 28 2010 - 09:09:35 PDT)
- [AMBER] sleap from AT 1.4 doesn't seem ok Alan (Wed Apr 28 2010 - 11:35:12 PDT)
- [AMBER] forcefield parameters for TiO2/peptides? Tom Williams (Wed Apr 28 2010 - 13:31:01 PDT)
- [AMBER] Question: ptraj masks Yingjie Lin (Wed Apr 28 2010 - 14:22:19 PDT)
- [AMBER] OT: GLYLIB C libraries for molecular data Lachele Foley (Lists) (Wed Apr 28 2010 - 16:02:42 PDT)
- [AMBER] Tesla C2050 atom limit? ben rodriguez (Wed Apr 28 2010 - 17:44:43 PDT)
- [AMBER] to test nab with openmp Alan (Thu Apr 29 2010 - 00:42:59 PDT)
- [AMBER] AmberTools.pdf (AT 1.4) Alan (Thu Apr 29 2010 - 06:48:41 PDT)
- [AMBER] failed to compile Amber11 with mpi on Mac Alan (Thu Apr 29 2010 - 07:41:20 PDT)
- [AMBER] a possible typo bug while building pmemd with mpi Alan (Thu Apr 29 2010 - 08:18:29 PDT)
- [AMBER] Stability Calculation Using MMPBSA.py? Hopkins, Robert (Thu Apr 29 2010 - 12:36:45 PDT)
- [AMBER] question about mass card of frcmod file Jim Miller (Thu Apr 29 2010 - 14:50:52 PDT)
- Re: [AMBER] question about mass card of frcmod file Bill Ross (Thu Apr 29 2010 - 16:07:25 PDT)
- [AMBER] how to write one ptraj file into several smaller files Yunfen Wang (Fri Apr 30 2010 - 05:00:02 PDT)
- [AMBER] "go" keyword in ptraj Ben Roberts (Fri Apr 30 2010 - 06:34:28 PDT)
- [AMBER] Undefined symbols: "___builtin___strcpy_chk" and more Yu Chen (Fri Apr 30 2010 - 07:10:44 PDT)
- [AMBER] Problem from ala scanning Rilei Yu (Fri Apr 30 2010 - 07:31:25 PDT)
- [AMBER] distance mapping monica.imtech.res.in (Fri Apr 30 2010 - 07:51:48 PDT)
- [AMBER] xgrid in opempi 1.4.1 still broken Alan (Fri Apr 30 2010 - 08:04:24 PDT)
- [AMBER] freezing selected residues Senthil Natesan (Fri Apr 30 2010 - 10:11:20 PDT)
- [AMBER] nmr order parameter and autocorrelation luzhenw1.msu.edu (Fri Apr 30 2010 - 13:43:00 PDT)
- [AMBER] MM parameters for TiO2 Piotr Cieplak (Fri Apr 30 2010 - 14:57:28 PDT)
- Re: [AMBER] TER dfinition at the middile of pdb file Jason Swails (Fri Apr 30 2010 - 20:29:23 PDT)
- Last message date: Fri Apr 30 2010 - 21:00:03 PDT
- Archived on: Fri Nov 22 2024 - 05:53:59 PST
