Amber Archive Jul 2011 by thread
- Re: [AMBER] using Mg with ff99SB Takeshi Baba (Thu Jun 30 2011 - 18:12:46 PDT)
- [AMBER] How Kinetic energy is can be converted to Temperature under the SHAKE constraint? kurisaki (Thu Jun 30 2011 - 19:18:43 PDT)
- Re: [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] NBONH is greater than number of hydrogen for protein. kurisaki (Thu Jun 30 2011 - 20:23:22 PDT)
- Re: [AMBER] AMBER9- error in LEaP while learning MMPBSA tutorial Sheau Chen Lee (Thu Jun 30 2011 - 20:41:51 PDT)
- Re: [AMBER] Error mmpbsa John S (Thu Jun 30 2011 - 21:17:48 PDT)
- [AMBER] INSTALLATION ERROR ON RED HAT LINUX Rajabrata Bhuyan (Thu Jun 30 2011 - 23:13:28 PDT)
- Re: [AMBER] Non-Standard Residues Problems David A Case (Fri Jul 01 2011 - 04:59:18 PDT)
- [AMBER] APBS Daniel Aiello (Fri Jul 01 2011 - 07:06:23 PDT)
- [AMBER] MMPBSA.MPI running issue Ye Fan (Fri Jul 01 2011 - 09:00:33 PDT)
- [AMBER] MPI cuda compilation error Fabrício Bracht (Fri Jul 01 2011 - 17:03:50 PDT)
- Re: [AMBER] dist restraint e p (Fri Jul 01 2011 - 20:10:04 PDT)
- Re: [AMBER] NETCDF Installation Error Ali Faruqi (Sat Jul 02 2011 - 01:59:06 PDT)
- [AMBER] /bin/sh /bin/dash Francesco Pietra (Sat Jul 02 2011 - 10:08:30 PDT)
- [AMBER] Multiple CPU and single GPU doubt Fabrício Bracht (Sat Jul 02 2011 - 15:36:26 PDT)
- [AMBER] dist restraint e p (Sun Jul 03 2011 - 03:29:57 PDT)
- Re: [AMBER] ff03 force field case (Sun Jul 03 2011 - 09:59:17 PDT)
- Re: [AMBER] Sander Compilation Problem Jason Swails (Sun Jul 03 2011 - 12:14:47 PDT)
- [AMBER] DNA simulation najmul arfin (Sun Jul 03 2011 - 22:55:38 PDT)
- [AMBER] Registration open - AMBER Workshop in Shanghai, China, August 22-26, 2011 Andreas Goetz (Mon Jul 04 2011 - 01:00:46 PDT)
- [AMBER] MM-GBSA with QM data Aust, Susanne (Mon Jul 04 2011 - 02:04:17 PDT)
- [AMBER] amber Shesh Nath (Mon Jul 04 2011 - 03:08:34 PDT)
- [AMBER] sander11 haris p (Mon Jul 04 2011 - 03:54:03 PDT)
- [AMBER] using sleap to load mol2 files case (Mon Jul 04 2011 - 06:15:03 PDT)
- [AMBER] continuing an mmpbsa run Chris Chris (Mon Jul 04 2011 - 06:29:20 PDT)
- [AMBER] reference for GLYCAM_06 force field subrata paul (Mon Jul 04 2011 - 22:14:34 PDT)
- Re: [AMBER] regarding per residue wise free energy decomposition Hirdesh Kumar (Mon Jul 04 2011 - 22:26:05 PDT)
- [AMBER] sleap cannot deal with lipids? Tomoshi Kameda (Mon Jul 04 2011 - 23:09:32 PDT)
- [AMBER] Installation Problem souvik sur (Tue Jul 05 2011 - 00:00:02 PDT)
- [AMBER] Intercalation site creation Pooja Khurana (Tue Jul 05 2011 - 03:48:59 PDT)
- [AMBER] Running Amber 11 simulations using pmemd.cuda.MPI Baker D.J. (Tue Jul 05 2011 - 07:57:07 PDT)
- [AMBER] segmentation fault on tleap Giorgos Lamprinidis (Tue Jul 05 2011 - 08:32:14 PDT)
- [AMBER] amber11 openmpi installation problem mish (Tue Jul 05 2011 - 09:19:47 PDT)
- [AMBER] install DFTB plus with Amber 11 Yubo Fan (Tue Jul 05 2011 - 09:39:44 PDT)
- [AMBER] About visualizing amber trajectory (periodic box) in VMD Mo Chen (Tue Jul 05 2011 - 11:08:11 PDT)
- [AMBER] Fatal error in MPI_Init: Other MPI error Santosh Mogurampelly (Tue Jul 05 2011 - 11:30:19 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] Amber11 Roy Lee (Tue Jul 05 2011 - 20:02:54 PDT)
- [AMBER] Error KIRTANA S (Tue Jul 05 2011 - 21:06:21 PDT)
- [AMBER] AMBER Shesh Nath (Tue Jul 05 2011 - 23:36:20 PDT)
- [AMBER] Problem related to the Potential Mean Force Sindrila Dutta banik (Tue Jul 05 2011 - 23:37:32 PDT)
- [AMBER] MMPBSA_ERROR MAXNEI too short Raja Pandian (Wed Jul 06 2011 - 00:14:09 PDT)
- [AMBER] Ala double mutation scans Jesper Sørensen (Wed Jul 06 2011 - 01:27:35 PDT)
- [AMBER] Problems with density in aqueous solution tommaso.casalini.mail.polimi.it (Wed Jul 06 2011 - 03:05:11 PDT)
- Re: [AMBER] Inquiry about installing AMBER Bruno Rodrigues (Wed Jul 06 2011 - 04:41:40 PDT)
- [AMBER] AmberTools installation error Jennifer L. Muzyka (Wed Jul 06 2011 - 05:08:58 PDT)
- [AMBER] AmberTools installation - Jennifer L. Muzyka (Wed Jul 06 2011 - 05:18:28 PDT)
- Re: [AMBER] AmberTools1.5 &ff10 David A Case (Wed Jul 06 2011 - 05:27:38 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 - 08:59:32 PDT)
- [AMBER] ptraj analysis problems - protein leaving the box Daniel Scott (Wed Jul 06 2011 - 09:14:43 PDT)
- [AMBER] scee=scnb=1 subrata paul (Wed Jul 06 2011 - 10:57:26 PDT)
- [AMBER] Amber11 using MPICH (parallel install problem) mish (Wed Jul 06 2011 - 11:21:35 PDT)
- [AMBER] Sander Problem souvik sur (Thu Jul 07 2011 - 02:08:52 PDT)
- [AMBER] sander job crashed MUSTAFA BUGHIO (Thu Jul 07 2011 - 04:37:53 PDT)
- [AMBER] xleap problem Elisa Frezza (Thu Jul 07 2011 - 06:37:35 PDT)
- [AMBER] Amber help RUI_YAO (Thu Jul 07 2011 - 07:59:56 PDT)
- [AMBER] Energy Decomp with mm_pbsa.pl Daniel Aiello (Thu Jul 07 2011 - 09:58:11 PDT)
- [AMBER] extra_pts.f tsurma.umich.edu (Thu Jul 07 2011 - 14:08:47 PDT)
- [AMBER] glib(c) error in mmpbsa KIRTANA S (Thu Jul 07 2011 - 14:57:59 PDT)
- [AMBER] atom mapping in leaprc.parmCHI_YIL.bsc Niel Henriksen (Thu Jul 07 2011 - 16:05:42 PDT)
- [AMBER] deletion of one water molecule from .rst and prmtop files Hirdesh Kumar (Thu Jul 07 2011 - 22:18:26 PDT)
- [AMBER] Creating hoogsteen basepaired DNA using NAB Andre Serobian (Fri Jul 08 2011 - 00:18:37 PDT)
- [AMBER] Ligand parametrization Matteo Tiberti (Fri Jul 08 2011 - 03:30:42 PDT)
- [AMBER] minimization error Zhu Tong (Fri Jul 08 2011 - 05:55:24 PDT)
- [AMBER] XLEaP parameters for nonstandard residues Julia Blum (Fri Jul 08 2011 - 07:05:51 PDT)
- [AMBER] Different trajectories with different RMSD with changing the parameters of gamma_ln, taup, timesteps and extend of density equilibration Rajesh Raju (Fri Jul 08 2011 - 10:49:15 PDT)
- [AMBER] Missing Na+ type in ff10 in maksing topolgy file Rajesh Raju (Fri Jul 08 2011 - 17:15:25 PDT)
- [AMBER] ERROR - No pdb file generated using NAB Andre Serobian (Fri Jul 08 2011 - 21:08:18 PDT)
- [AMBER] sleap and ptraj output issue with terminal residues Kevin Wiehe (Fri Jul 08 2011 - 21:45:54 PDT)
- [AMBER] Interaction - Constrain Eliac Brown (Sat Jul 09 2011 - 04:19:33 PDT)
- [AMBER] Problem related to the residue template of zwiterionic state Sindrila Dutta banik (Sat Jul 09 2011 - 20:36:22 PDT)
- [AMBER] About extracting partial atoms from a Amber trajectory file Mo Chen (Sun Jul 10 2011 - 08:47:59 PDT)
- [AMBER] AMBER Shesh Nath (Sun Jul 10 2011 - 23:20:04 PDT)
- [AMBER] Heavy atom definition Eliac Brown (Mon Jul 11 2011 - 03:52:56 PDT)
- [AMBER] Analysis the changes of secondary structure in MD trajectory qiao xue (Mon Jul 11 2011 - 05:45:31 PDT)
- [AMBER] ligand & protein with dist restraint e p (Mon Jul 11 2011 - 07:08:10 PDT)
- [AMBER] cudaMemcpy GpuBuffer::Upload failed invalid argument Oliver Kuhn (Mon Jul 11 2011 - 08:32:56 PDT)
- [AMBER] AmberTools manikanthan bhavaraju (Mon Jul 11 2011 - 13:26:15 PDT)
- [AMBER] Minimization Question Eliac Brown (Mon Jul 11 2011 - 18:18:41 PDT)
- [AMBER] help xiao fugui (Mon Jul 11 2011 - 19:16:56 PDT)
- [AMBER] regarding amber anal calculation dhilip kumar ramalingam (Mon Jul 11 2011 - 22:07:05 PDT)
- [AMBER] Please solve my problem e p (Tue Jul 12 2011 - 04:11:52 PDT)
- [AMBER] Undefined symbols when compiling AMBER11 on Mac OSX 10.6 Daniel Sindhikara (Tue Jul 12 2011 - 04:35:05 PDT)
- [AMBER] When and how is leap re-numbering residues? Jan-Philip Gehrcke (Tue Jul 12 2011 - 06:27:19 PDT)
- [AMBER] AmberTools compilation problem Matteo Tiberti (Tue Jul 12 2011 - 07:54:35 PDT)
- [AMBER] Antechamber trouble with COA-acyl chain Erin Kelly (Tue Jul 12 2011 - 07:59:28 PDT)
- [AMBER] zinc parameters Sel Ercan (Tue Jul 12 2011 - 10:00:56 PDT)
- [AMBER] problem with type of pdb output. lawrence awadetsi (Tue Jul 12 2011 - 11:07:33 PDT)
- [AMBER] MMPBSA.py is crashing manikanthan bhavaraju (Tue Jul 12 2011 - 13:19:24 PDT)
- [AMBER] the picture of secstruct and the analysis of Hbond qiao xue (Tue Jul 12 2011 - 18:57:54 PDT)
- [AMBER] Sander problem souvik sur (Tue Jul 12 2011 - 20:43:24 PDT)
- [AMBER] Edit prmtop file Paul Mortenson (Wed Jul 13 2011 - 01:37:53 PDT)
- [AMBER] number of solvent molecule around solute subrata paul (Wed Jul 13 2011 - 02:56:59 PDT)
- [AMBER] MM_PBSA analysis warning Sangita Kachhap (Wed Jul 13 2011 - 04:30:09 PDT)
- [AMBER] TR: Antechamber trouble with COA-acyl chain intra\\sa175950 (Wed Jul 13 2011 - 08:34:36 PDT)
- [AMBER] Regarding "Total unperturbed charge: -0.507900" on CYP1A1 Prajwal Nandekar (Wed Jul 13 2011 - 11:44:54 PDT)
- [AMBER] converting amber8 prmtop to amber11 manikanthan bhavaraju (Wed Jul 13 2011 - 12:38:45 PDT)
- [AMBER] How to make the picture of secstruct and the analysis of Hbond qiao xue (Wed Jul 13 2011 - 16:54:10 PDT)
- [AMBER] error: GBSA with mm_pbsa.pl manikanthan bhavaraju (Wed Jul 13 2011 - 20:35:25 PDT)
- [AMBER] regarding hydrogen bonding dhilip kumar ramalingam (Thu Jul 14 2011 - 01:35:41 PDT)
- [AMBER] renum water Jacopo Sgrignani (Thu Jul 14 2011 - 01:50:06 PDT)
- [AMBER] installation of ambertools-- help Nyla Zaman (Thu Jul 14 2011 - 04:50:15 PDT)
- [AMBER] pmemd trajectory for mm_pbsa/gbsa analysis on sander Sangeetha B (Thu Jul 14 2011 - 07:38:40 PDT)
- [AMBER] Restrained MD Ozen, Aysegul (Thu Jul 14 2011 - 09:10:19 PDT)
- [AMBER] old prmtop and prmtop 7 Qian Wang (Thu Jul 14 2011 - 12:27:53 PDT)
- [AMBER] problem with running MMPBSA.py on a single frame Victor Ma (Thu Jul 14 2011 - 14:10:22 PDT)
- [AMBER] problem with running MMPBSA.py on a single frame Victor Ma (Thu Jul 14 2011 - 14:33:27 PDT)
- [AMBER] Diffusion George Tzotzos (Fri Jul 15 2011 - 05:18:17 PDT)
- [AMBER] nonbond parameter for copper(Ⅱ) ion caobb0214 (Fri Jul 15 2011 - 17:29:27 PDT)
- [AMBER] Problem related to the Corelation Function Sindrila Dutta banik (Sat Jul 16 2011 - 07:20:53 PDT)
- [AMBER] Problem related to the RMSD and Atomic fluctuation Sindrila Dutta banik (Sat Jul 16 2011 - 21:02:06 PDT)
- [AMBER] Error in unit 9 inpcrd file KIRTANA S (Sat Jul 16 2011 - 21:24:51 PDT)
- [AMBER] Problem related to the velocity correlation function Sindrila Dutta banik (Sat Jul 16 2011 - 22:48:16 PDT)
- [AMBER] Tleap problem with save prmtop and inpcrd file. can someone give me advice? hai wei (Sun Jul 17 2011 - 00:27:21 PDT)
- [AMBER] problem with ZAFF moitrayee.mbu.iisc.ernet.in (Sun Jul 17 2011 - 07:52:47 PDT)
- [AMBER] Imaging everything inside an octahedral box Daniel Kuroda (Sun Jul 17 2011 - 07:57:20 PDT)
- [AMBER] MMPBSA calculation in complex with Membrane 徐见容 (Sun Jul 17 2011 - 09:43:29 PDT)
- [AMBER] using zaff parameters moitrayee.mbu.iisc.ernet.in (Sun Jul 17 2011 - 11:11:48 PDT)
- [AMBER] /dat/slko DFTB files Somaye Badieyan (Sun Jul 17 2011 - 15:38:24 PDT)
- [AMBER] Problem related to the Velocity correlation function Sindrila Dutta banik (Sun Jul 17 2011 - 21:31:45 PDT)
- [AMBER] confusions about some thermodynamic properties of TIP3P water zhouhaibin2008.ok (Mon Jul 18 2011 - 01:30:47 PDT)
- [AMBER] Regarding umbrella sampling jani vinod (Mon Jul 18 2011 - 01:42:40 PDT)
- [AMBER] Error with na_anal.c Chirag Vora (Mon Jul 18 2011 - 01:50:53 PDT)
- [AMBER] Cuda compilation problem Fernando Martín García (Mon Jul 18 2011 - 02:14:35 PDT)
- [AMBER] Count number of frames in any trajectory file Jan-Philip Gehrcke (Mon Jul 18 2011 - 07:45:37 PDT)
- [AMBER] Related to the correlation function Sindrila Dutta banik (Mon Jul 18 2011 - 07:55:25 PDT)
- [AMBER] ptraj closest water George Tzotzos (Mon Jul 18 2011 - 09:00:59 PDT)
- [AMBER] H++ protonation Massimiliano Porrini (Mon Jul 18 2011 - 09:34:23 PDT)
- [AMBER] cluster MD trajectory by attribute Oliver Kuhn (Mon Jul 18 2011 - 11:01:23 PDT)
- [AMBER] Periodicity in MD simulations Oliver Kuhn (Mon Jul 18 2011 - 11:17:35 PDT)
- [AMBER] H++ protonation Massimiliano Porrini (Mon Jul 18 2011 - 11:43:51 PDT)
- [AMBER] confusions about some thermodynamic properties zhouhaibin2008.ok (Mon Jul 18 2011 - 17:42:13 PDT)
- [AMBER] Ligands and cofactors in enzymes David Cantu (Mon Jul 18 2011 - 21:54:50 PDT)
- [AMBER] PB calculation error when using MMPBSA.py zw258.cam.ac.uk (Tue Jul 19 2011 - 01:03:29 PDT)
- [AMBER] Fwd: Cuda compilation problem Fernando Martín García (Tue Jul 19 2011 - 02:12:43 PDT)
- [AMBER] Query about switch function using AMBER ff99SB forcefield and NAMD simulation code Madhurima Jana (Tue Jul 19 2011 - 04:42:07 PDT)
- [AMBER] Error in ptraj trajin David Condon (Tue Jul 19 2011 - 06:11:03 PDT)
- [AMBER] Zero values for gbsur Daniel Aiello (Tue Jul 19 2011 - 06:36:33 PDT)
- [AMBER] Fwd: cluster MD trajectory by attribute - solved Oliver Kuhn (Tue Jul 19 2011 - 07:20:38 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] MMGBSA.py error Rajesh Raju (Tue Jul 19 2011 - 13:53:28 PDT)
- [AMBER] Regarding umbrella sampling jani vinod (Tue Jul 19 2011 - 21:00:41 PDT)
- Re: [AMBER] CUDA 4.0 Craig West (Tue Jul 19 2011 - 22:24:22 PDT)
- [AMBER] Amber test failure haris p (Tue Jul 19 2011 - 23:41:33 PDT)
- [AMBER] adiabatic conformational map of carbohydrates Neha Gandhi (Wed Jul 20 2011 - 00:34:42 PDT)
- [AMBER] Amber_CygWin_installation Carmen Di Giovanni (Wed Jul 20 2011 - 01:35:11 PDT)
- [AMBER] protein-ligand-metal complex simulation Sangeetha B (Wed Jul 20 2011 - 03:25:17 PDT)
- [AMBER] CHARMM in AMBER Brian Radak (Wed Jul 20 2011 - 07:09:42 PDT)
- [AMBER] Urea box: artifacts or just a special distribution? Na Le Dang (Wed Jul 20 2011 - 08:57:58 PDT)
- [AMBER] Amber11 Tests fail peter.stauffert.boehringer-ingelheim.com (Wed Jul 20 2011 - 11:41:39 PDT)
- [AMBER] ions params for SPC/F water Bruno Rodrigues (Wed Jul 20 2011 - 20:39:50 PDT)
- [AMBER] REMD doubt : how to know the protein is not trapped in a conformation Rajeswari A. (Thu Jul 21 2011 - 04:17:02 PDT)
- [AMBER] Problem of creating trpcage TC5b amino acid sequence using "sequence" command Aimin (Thu Jul 21 2011 - 09:28:01 PDT)
- [AMBER] How to choose MMGBSA saltcon varaible value Rajesh Raju (Thu Jul 21 2011 - 16:37:49 PDT)
- [AMBER] Error on installing AMBERTOOLS 1.5 ysjho (Thu Jul 21 2011 - 18:53:33 PDT)
- [AMBER] problem with addIons in tleap Wei Chen (Thu Jul 21 2011 - 22:22:36 PDT)
- [AMBER] problem with xleap aneesh cna (Thu Jul 21 2011 - 23:55:52 PDT)
- [AMBER] ptraj can not read NC file. and not succeed in apply patch. hai wei (Fri Jul 22 2011 - 01:22:46 PDT)
- [AMBER] MM_pbsa 刘金峰 (Fri Jul 22 2011 - 01:40:21 PDT)
- [AMBER] hbond vs time subrata paul (Fri Jul 22 2011 - 03:02:42 PDT)
- [AMBER] H-bond vs. time Beale, John (Fri Jul 22 2011 - 03:06:46 PDT)
- [AMBER] reproducing a simulation Xiao Chen (Fri Jul 22 2011 - 04:34:35 PDT)
- [AMBER] problem with unperturbed charge of the unit moitrayee.mbu.iisc.ernet.in (Fri Jul 22 2011 - 06:01:25 PDT)
- [AMBER] ZAFF parameters: non integral charge moitrayee.mbu.iisc.ernet.in (Fri Jul 22 2011 - 06:27:50 PDT)
- [AMBER] Make_Gnu_Win_error Carmen Di Giovanni (Fri Jul 22 2011 - 08:53:01 PDT)
- [AMBER] sander.MPI is running on 8 nodes, but the output says it is running on 1 nodes M Kang (Fri Jul 22 2011 - 11:36:49 PDT)
- [AMBER] Error compiling amber cuda Fabrício Bracht (Fri Jul 22 2011 - 14:30:31 PDT)
- [AMBER] Problem with MMPBSA.py Seungyeul Yoo (Fri Jul 22 2011 - 15:15:18 PDT)
- [AMBER] configure_error Carmen Di Giovanni (Tue Jul 19 2011 - 10:44:37 PDT)
- [AMBER] create walls amir abbasi (Sat Jul 23 2011 - 05:27:49 PDT)
- [AMBER] amber11 forcefield Roy Lee (Mon Jul 25 2011 - 02:13:34 PDT)
- [AMBER] Cannot find MMPBSA.MPI Rajesh Raju (Mon Jul 25 2011 - 15:23:08 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] Failure kReduceSoluteCOM with GPU Fabrício Bracht (Mon Jul 25 2011 - 20:44:10 PDT)
- [AMBER] MMPBSA.MPI running error problem Rajesh Raju (Mon Jul 25 2011 - 22:16:32 PDT)
- [AMBER] problem installing amber 10 Nyla Zaman (Mon Jul 25 2011 - 22:33:35 PDT)
- [AMBER] Steered dynamics related questions Sergey Samsonov (Tue Jul 26 2011 - 02:32:22 PDT)
- [AMBER] Element definition amir abbasi (Tue Jul 26 2011 - 04:45:35 PDT)
- [AMBER] belly energies Ignacio J. General (Tue Jul 26 2011 - 07:29:30 PDT)
- [AMBER] selective qmshake? Brian Radak (Tue Jul 26 2011 - 08:57:10 PDT)
- [AMBER] SYBYL to GAFF atom types David Cantu (Tue Jul 26 2011 - 09:36:52 PDT)
- [AMBER] vdW issues during TI Emmanuel Baribefe Naziga (Tue Jul 26 2011 - 11:11:57 PDT)
- [AMBER] force field issues using AT15 Peter Varnai (Tue Jul 26 2011 - 14:11:19 PDT)
- [AMBER] CHARMM format to Amber format David Cantu (Tue Jul 26 2011 - 14:49:55 PDT)
- [AMBER] Problem with MMPBSA.py Roman Osman (Tue Jul 26 2011 - 15:18:22 PDT)
- [AMBER] Ptraj and glibc error Maura Catherine Mooney (Tue Jul 26 2011 - 17:34:37 PDT)
- [AMBER] Problems installing AMBER 11 Carlos P Sosa (Tue Jul 26 2011 - 19:04:40 PDT)
- [AMBER] (NAB issue) wc_helix : Problem in creating RNA structures Anjan Dwaraknath (Wed Jul 27 2011 - 03:03:52 PDT)
- [AMBER] Script to run mm_pbsa.pl for ENTROPY calculation in parallel on workstation Azat Mukhametov (Wed Jul 27 2011 - 03:20:42 PDT)
- [AMBER] CHAMBER: problems reading bond parameters in charmm parameter file Patrick von Glehn (Wed Jul 27 2011 - 04:27:10 PDT)
- [AMBER] Problem with removing Hydrogen in trajectory file using prtaj Devlina Chakravarty (Wed Jul 27 2011 - 05:23:17 PDT)
- [AMBER] idecomp and res card Elisa Frezza (Wed Jul 27 2011 - 06:28:13 PDT)
- [AMBER] Problem related to the RMSD Sindrila Dutta banik (Wed Jul 27 2011 - 07:02:45 PDT)
- [AMBER] Changing the L-J parameter does not work? bkim.chem.ucsb.edu (Wed Jul 27 2011 - 09:58:41 PDT)
- [AMBER] nmropt on dihedral angles, are half harmonic restraints possible? Brian Radak (Wed Jul 27 2011 - 11:39:41 PDT)
- [AMBER] AMBER10 pimd failure on =>16 cores Andrew Petersen (Wed Jul 27 2011 - 14:22:02 PDT)
- [AMBER] MMGBSA of Mg-containing ligand Irene Newhouse (Wed Jul 27 2011 - 14:57:02 PDT)
- [AMBER] Oxygen Gaff Atom Type David Cantu (Wed Jul 27 2011 - 15:19:41 PDT)
- [AMBER] MMPBSA yielding different values when processed with .prepin and .lib file sunita gupta (Thu Jul 28 2011 - 01:14:41 PDT)
- [AMBER] alpha 2-3 Sialyllactose in GLYCAM mish (Thu Jul 28 2011 - 02:29:40 PDT)
- [AMBER] hbond analysis subrata paul (Thu Jul 28 2011 - 02:51:11 PDT)
- [AMBER] Problem related to the RMSD Sindrila Dutta banik (Thu Jul 28 2011 - 03:25:30 PDT)
- [AMBER] Sorry Sindrila Dutta banik (Thu Jul 28 2011 - 03:29:38 PDT)
- [AMBER] Energy or Temperature Fluctuation Sindrila Dutta banik (Thu Jul 28 2011 - 03:44:56 PDT)
- [AMBER] sander problem lawrence awadetsi (Thu Jul 28 2011 - 10:48:38 PDT)
- Re: [AMBER] alpha 2-3 Sialyllactose in GLYCAM, Matthew Tessier (Thu Jul 28 2011 - 11:13:10 PDT)
- [AMBER] Energy output when using ibelly Ignacio J. General (Thu Jul 28 2011 - 12:48:46 PDT)
- [AMBER] possible problem with periodic cell Bruno Rodrigues (Thu Jul 28 2011 - 14:01:32 PDT)
- [AMBER] AMBER/sander parallel performance problem Jyh-Shyong (Thu Jul 28 2011 - 17:00:27 PDT)
- [AMBER] Volume of a Cavity Sindrila Dutta banik (Fri Jul 29 2011 - 03:08:31 PDT)
- [AMBER] MMPBSA.py - cluster analysis George Tzotzos (Fri Jul 29 2011 - 06:21:25 PDT)
- [AMBER] question about possible failures during Amber10 and AmberTools1.2 Gordon Freeman (Fri Jul 29 2011 - 06:58:02 PDT)
- [AMBER] distance and angle cutoff for hydrogen bond atila petrosian (Sat Jul 30 2011 - 05:04:08 PDT)
- [AMBER] chiral restraints in AMBER David Condon (Sat Jul 30 2011 - 16:55:05 PDT)
- [AMBER] Parm .dat format and frcmod tdo.chem.ucsb.edu (Sat Jul 30 2011 - 23:29:32 PDT)
- [AMBER] Proble related to with dipole-dipole correlation function Sindrila Dutta banik (Sun Jul 31 2011 - 04:54:39 PDT)
- Last message date: Sun Jul 31 2011 - 05:00:05 PDT
- Archived on: Mon Dec 23 2024 - 05:54:17 PST
