Amber Archive Jun 2010 by thread
- Re: [AMBER] Is it possible to plot RMSd VS residue number for a protein? Homa Azizian (Mon May 31 2010 - 16:58:53 PDT)
- Re: [AMBER] MMPBSA.py update install problem Rilei Yu (Mon May 31 2010 - 16:59:09 PDT)
- [AMBER] Prepare the mutants file for ala scanning Rilei Yu (Mon May 31 2010 - 17:11:07 PDT)
- [AMBER] Problem on B-factor Calculation tianyuan meng (Mon May 31 2010 - 19:06:52 PDT)
- [AMBER] Why different binding energy is obtained from GBSA calculations? Catein Catherine (Mon May 31 2010 - 20:43:15 PDT)
- [AMBER] discontinuous residues Jio M (Tue Jun 01 2010 - 00:05:02 PDT)
- [AMBER] Polak Ribiere Jagdeesh C (Tue Jun 01 2010 - 01:21:27 PDT)
- [AMBER] Error in estrogen-raloxifene tutorial vaibhav dixit (Tue Jun 01 2010 - 02:34:21 PDT)
- [AMBER] MMPBSA problem binding energy calculation kamlesh sahu (Tue Jun 01 2010 - 02:42:35 PDT)
- Re: [AMBER] amber10 installtion error in parallel Jason Swails (Tue Jun 01 2010 - 06:32:29 PDT)
- [AMBER] error: mask from topology files! vaibhav dixit (Tue Jun 01 2010 - 07:46:52 PDT)
- [AMBER] sleap log Omair A. Khan (Tue Jun 01 2010 - 09:10:10 PDT)
- [AMBER] amber10 compilation Sangita Kachhap (Tue Jun 01 2010 - 09:18:03 PDT)
- Re: [AMBER] reg REMD Dongshan Wei (Tue Jun 01 2010 - 09:21:13 PDT)
- [AMBER] AMBER10 TI calculations manikanthan bhavaraju (Tue Jun 01 2010 - 12:20:48 PDT)
- Re: [AMBER] CUDA Segfault GTX470 Levi Pierce (Tue Jun 01 2010 - 12:23:04 PDT)
- [AMBER] MM_PBSA: multiple processes, single point output along the trajecotry and cropped structures Yuqin Cai (Tue Jun 01 2010 - 12:55:42 PDT)
- [AMBER] pmemd.cuda - ewald error estimate? Paul Brandt (Tue Jun 01 2010 - 15:43:01 PDT)
- [AMBER] The charge xuemeiwang1103 (Tue Jun 01 2010 - 23:27:58 PDT)
- [AMBER] Error: No potential terms in sander output! vaibhav dixit (Wed Jun 02 2010 - 03:37:15 PDT)
- Re: [AMBER] AmberTools-1.4 Test Problem Gustavo Seabra (Wed Jun 02 2010 - 05:45:35 PDT)
- [AMBER] distance restraints qiaoyan (Wed Jun 02 2010 - 06:14:00 PDT)
- Fwd: Re: Re: [AMBER] error - binding_energy.mmpbsa run Andrew Voronkov (Wed Jun 02 2010 - 06:15:56 PDT)
- Re: [AMBER] Parallel installation of AMBER 11 on MacOSX George Tzotzos (Wed Jun 02 2010 - 10:14:14 PDT)
- [AMBER] restraint in umbrella sampling dhacademic (Wed Jun 02 2010 - 11:17:57 PDT)
- [AMBER] Is it possible to revome water molecules during simulation? Hoshin Kim (Wed Jun 02 2010 - 23:40:11 PDT)
- RE: [AMBER] amber11 PMEMD cuda problem. (sometimes stopped...) Ross Walker (Thu Jun 03 2010 - 07:44:12 PDT)
- [AMBER] mm_pbsa error on ambertools 1.4 amber11 ANDREA.MEZGEZ.dicamp.units.it (Thu Jun 03 2010 - 08:39:30 PDT)
- [AMBER] Lmod, NAB error Cristina Sisu (Thu Jun 03 2010 - 09:04:50 PDT)
- [AMBER] ALASCAN (Alanine scanning mutagens ) Sushil Mishra (Thu Jun 03 2010 - 10:09:36 PDT)
- [AMBER] How to restart the remd simulation following the remd tutorial? Dongshan Wei (Thu Jun 03 2010 - 13:29:43 PDT)
- [AMBER] About water molecule analysis gokul algates (Fri Jun 04 2010 - 04:19:38 PDT)
- [AMBER] tleap: C-N triple bond and sp1 hybridization vedat durmaz (Fri Jun 04 2010 - 05:26:46 PDT)
- [AMBER] simulation of protein ashutosh shandilya (Fri Jun 04 2010 - 09:32:48 PDT)
- [AMBER] simulation of protein ashutosh shandilya (Fri Jun 04 2010 - 09:45:44 PDT)
- [AMBER] Amber on BlueGene/P T. Andrew Binkowski (Fri Jun 04 2010 - 10:49:11 PDT)
- [AMBER] entropy calculation failed again! Rilei Yu (Fri Jun 04 2010 - 18:28:10 PDT)
- [AMBER] gb working but not pb & gives No potential terms in sander output! error vaibhav dixit (Fri Jun 04 2010 - 22:25:43 PDT)
- [AMBER] MMPBSA.py calculations...bad atom type RANAJIT SHINDE (Fri Jun 04 2010 - 22:44:23 PDT)
- [AMBER] MMPBSA.py calculations...bad atom type RANAJIT SHINDE (Fri Jun 04 2010 - 22:45:16 PDT)
- [AMBER] Thr -> Met in TI calculation fancy2012 (Sat Jun 05 2010 - 06:33:12 PDT)
- [AMBER] Fourier terms Hector A. Baldoni (Sat Jun 05 2010 - 15:04:32 PDT)
- [AMBER] Entropy for my system works now Rilei Yu (Sat Jun 05 2010 - 19:15:58 PDT)
- [AMBER] Entropy calculation using nmode in mm_pbsa.pl Sushil Mishra (Sun Jun 06 2010 - 05:22:26 PDT)
- [AMBER] The err of sander.PUPIL Aurum Bai (Sun Jun 06 2010 - 22:13:32 PDT)
- [AMBER] #RECMAP + #LIGMAP != #COMPRI in .DECOMP of mm_pbsa.pl Sushil Mishra (Sun Jun 06 2010 - 23:41:42 PDT)
- [AMBER] about ewald error estimate Navanath Kumbhar (Mon Jun 07 2010 - 02:32:43 PDT)
- [AMBER] Amber11: running ptraj George Tzotzos (Mon Jun 07 2010 - 03:10:05 PDT)
- [AMBER] AMBER11 compilation Steve Seibold (Mon Jun 07 2010 - 05:23:32 PDT)
- [AMBER] Fwd: FW: Requesting your help in amber Jenny Iskrenova (Mon Jun 07 2010 - 07:26:49 PDT)
- [AMBER] random number generators visible from nab: choice necessary? M. L. Dodson (Mon Jun 07 2010 - 13:22:43 PDT)
- [AMBER] GAFF 1.4 Masahiro HIGASHI (Tue Jun 08 2010 - 00:20:53 PDT)
- [AMBER] Error on running ptraj tianyuan meng (Tue Jun 08 2010 - 00:45:07 PDT)
- [AMBER] Regarding temperature accelerated MD Ramya Narasimhan (Tue Jun 08 2010 - 02:50:50 PDT)
- [AMBER] comparing DeltaG, docking and IC50 vaibhav dixit (Tue Jun 08 2010 - 03:21:36 PDT)
- [AMBER] gcc44 compiler Steve Seibold (Tue Jun 08 2010 - 05:08:01 PDT)
- [AMBER] is it possible to improve amino acids dihedral angles using Amber? Andrew Voronkov (Tue Jun 08 2010 - 05:21:58 PDT)
- [AMBER] Re: FW: Requesting your help in amber Jenny Iskrenova (Tue Jun 08 2010 - 06:04:22 PDT)
- [AMBER] nfft1-3 too large! check on MAXNFFT in ew_bspline.f Ehsan Habibi (Tue Jun 08 2010 - 06:49:06 PDT)
- [AMBER] how to cut phosphodiester bond Sangita Kachhap (Tue Jun 08 2010 - 09:30:04 PDT)
- [AMBER] SURFTEN / SURFOFF values are not consistent across *.all.out files Sushil Mishra (Tue Jun 08 2010 - 11:44:34 PDT)
- [AMBER] free energy profile Lars Skjærven (Tue Jun 08 2010 - 12:47:49 PDT)
- [AMBER] solvent-solute interaction energy Hoshin Kim (Tue Jun 08 2010 - 02:26:24 PDT)
- [AMBER] regarding forcefield for rna Asfa Ali (Wed Jun 09 2010 - 04:10:19 PDT)
- [AMBER] antechamber failing with -mul option and sqm Alan (Wed Jun 09 2010 - 04:15:11 PDT)
- [AMBER] Strange results for vaibhav dixit (Wed Jun 09 2010 - 04:24:31 PDT)
- [AMBER] PTRAJ: setting up donor and acceptor masks for ligands for hbond analysis George Tzotzos (Wed Jun 09 2010 - 06:40:31 PDT)
- [AMBER] simple question, FATAL: Atom .R<NGLU 1>.A<H 18> does not have a type. Andrew Voronkov (Wed Jun 09 2010 - 07:17:31 PDT)
- [AMBER] question about radial distribution function Ganesh Kamath (Wed Jun 09 2010 - 07:51:24 PDT)
- [AMBER] how to get frcmod.mod_phipsi.1 for constant pH MD simulation Sangita Kachhap (Wed Jun 09 2010 - 08:13:29 PDT)
- [AMBER] MMPBSA binding calculations shenna shearin (Wed Jun 09 2010 - 13:44:34 PDT)
- [AMBER] Error while compiling AT1.4 on OS X Gustaf Olsson (Wed Jun 09 2010 - 23:54:39 PDT)
- [AMBER] ambertools1.2 compilation error colvin (Thu Jun 10 2010 - 00:43:54 PDT)
- [AMBER] Building a slab between two vacuums? Gustaf Olsson (Thu Jun 10 2010 - 06:13:15 PDT)
- [AMBER] DNA analysis ros (Thu Jun 10 2010 - 06:25:01 PDT)
- [AMBER] about sybylmol2 file Navanath Kumbhar (Thu Jun 10 2010 - 07:33:59 PDT)
- [AMBER] 2drms Beale, John (Thu Jun 10 2010 - 07:40:24 PDT)
- [AMBER] MMPBSA.py nmode maxcyc problem Niel Henriksen (Thu Jun 10 2010 - 07:51:08 PDT)
- [AMBER] pmemd.cuda DPDP performance on GTX480 vs C2050? Sasha Buzko (Thu Jun 10 2010 - 09:21:18 PDT)
- [AMBER] info on ff10? Sidney Elmer (Thu Jun 10 2010 - 09:53:20 PDT)
- [AMBER] Stuck on pmemd.f90 Paul Go (Thu Jun 10 2010 - 10:22:44 PDT)
- [AMBER] RESP fit calculation Valerie Fako (Thu Jun 10 2010 - 11:07:58 PDT)
- Re: [AMBER] pmemd.cuda segmentation fault with iwrap=1 on NVT/NVE Levi Pierce (Thu Jun 10 2010 - 14:01:29 PDT)
- [AMBER] Solute and solvent temperatures in mden Mickey Richards (Thu Jun 10 2010 - 15:45:35 PDT)
- [AMBER] correlation luzhenw1.msu.edu (Thu Jun 10 2010 - 22:16:47 PDT)
- [AMBER] simulation of DNA-protein interaction Ehsan Habibi (Fri Jun 11 2010 - 02:31:55 PDT)
- [AMBER] Conserving water bridges? Waqas Nasir (Fri Jun 11 2010 - 02:56:46 PDT)
- [AMBER] correlation matrix in PTRAJ luzhenw1.msu.edu (Fri Jun 11 2010 - 06:54:18 PDT)
- [AMBER] Invitation to connect on LinkedIn hyma srinivas (Fri Jun 11 2010 - 08:58:51 PDT)
- [AMBER] protonation states of histidines - is there any way to treat it accurately. Andrew Voronkov (Fri Jun 11 2010 - 09:01:23 PDT)
- [AMBER] Amber10 installation problem in linux Sangita Kachhap (Fri Jun 11 2010 - 09:28:11 PDT)
- [AMBER] Can mm-pbsa be limited to simulating a fragment of a large protein? Sasha Buzko (Fri Jun 11 2010 - 10:50:35 PDT)
- [AMBER] Lennard Jones calculation Antonios Samiotakis (Fri Jun 11 2010 - 16:01:24 PDT)
- [AMBER] Modifying the bond energy calculation - adding a cubic bond term (hacking the sander code) Eric Shamay (Fri Jun 11 2010 - 17:13:56 PDT)
- [AMBER] torsion angle define Navanath Kumbhar (Sat Jun 12 2010 - 04:04:56 PDT)
- [AMBER] Postdoc position available at SDSC. Ross Walker (Sat Jun 12 2010 - 07:37:17 PDT)
- [AMBER] CUDA (GPU): Implementation does not support extra points. ashutosh shandilya (Sat Jun 12 2010 - 11:18:06 PDT)
- [AMBER] constant pH simulation (protonation state specification) Sangita Kachhap (Sun Jun 13 2010 - 09:16:34 PDT)
- [AMBER] antechamber monica.imtech.res.in (Mon Jun 14 2010 - 00:43:00 PDT)
- [AMBER] Ptraj problems Samuel Genheden (Mon Jun 14 2010 - 01:47:25 PDT)
- [AMBER] Free Energy profile Anna Reymer (Mon Jun 14 2010 - 02:47:57 PDT)
- [AMBER] parallel compiling failure of Amber 11 Yubo Fan (Mon Jun 14 2010 - 08:58:52 PDT)
- [AMBER] visualising frame of minimisation Alan (Mon Jun 14 2010 - 09:02:42 PDT)
- [AMBER] MMPBSA.py error George Tzotzos (Mon Jun 14 2010 - 09:10:06 PDT)
- [AMBER] peptide leaving box, image command not working Omair A. Khan (Mon Jun 14 2010 - 10:51:08 PDT)
- [AMBER] About md parameters for unuaual amino acid residues Rilei Yu (Mon Jun 14 2010 - 22:12:57 PDT)
- [AMBER] about atom type Navanath Kumbhar (Mon Jun 14 2010 - 22:25:29 PDT)
- [AMBER] want to keep water from the pdb vaibhav dixit (Mon Jun 14 2010 - 23:50:03 PDT)
- [AMBER] Polarizability and induced dipoles Mag. Thomas Taylor (Tue Jun 15 2010 - 01:53:33 PDT)
- [AMBER] how can i run min.in heat.in density.in equil.in as one sander job? vaibhav dixit (Tue Jun 15 2010 - 03:15:58 PDT)
- [AMBER] nmr refinment problem shirishkumar pawar (Tue Jun 15 2010 - 03:16:12 PDT)
- [AMBER] plz help!!! monica.imtech.res.in (Tue Jun 15 2010 - 03:20:52 PDT)
- [AMBER] to understand 1-4 interactions in Amber FF Alan (Tue Jun 15 2010 - 04:16:31 PDT)
- Re: [AMBER] constant pH simulation (syn and anti position) Sangita Kachhap (Tue Jun 15 2010 - 06:50:36 PDT)
- [AMBER] MD simulation of methylated DNA: addition of methyl groups to .pdb file Ehsan Habibi (Tue Jun 15 2010 - 10:23:45 PDT)
- [AMBER] picky nab compiler: is this really necessary? M. L. Dodson (Tue Jun 15 2010 - 12:32:26 PDT)
- Re: [AMBER] density John S (Tue Jun 15 2010 - 12:57:51 PDT)
- [AMBER] Rdf and density John S (Tue Jun 15 2010 - 22:55:37 PDT)
- [AMBER] pH based conformational study Sangita Kachhap (Tue Jun 15 2010 - 23:55:18 PDT)
- [AMBER] sietraj Yossa Dwi Hartono (Wed Jun 16 2010 - 00:10:14 PDT)
- [AMBER] frcdump for CHARMM Mag. Thomas Taylor (Wed Jun 16 2010 - 02:08:00 PDT)
- [AMBER] amber10 installation problem Devlina Chakravarty (Wed Jun 16 2010 - 05:01:16 PDT)
- [AMBER] MMPBSA : SA Bomb in sa_arc : Allocation aborted error Cristina Sisu (Wed Jun 16 2010 - 07:58:52 PDT)
- [AMBER] FW: frcdump for CHARMM Ross Walker (Wed Jun 16 2010 - 08:10:35 PDT)
- [AMBER] ptraj rms error Beale, John (Wed Jun 16 2010 - 08:30:48 PDT)
- [AMBER] high bidning energy MMPBSA kamlesh sahu (Wed Jun 16 2010 - 18:45:55 PDT)
- Re: [AMBER] Creating topology files for protein-ligand complex case (Wed Jun 16 2010 - 19:51:26 PDT)
- [AMBER] rhombicity Peter Podbevšek (Thu Jun 17 2010 - 02:18:57 PDT)
- [AMBER] Parameters for Nickel Dian Jiao (Thu Jun 17 2010 - 08:14:41 PDT)
- [AMBER] bond angle and distance calculation Hoshin Kim (Thu Jun 17 2010 - 01:48:18 PDT)
- [AMBER] Solvation free energy of a capped 9mer peptide Lekpa Duukori (Thu Jun 17 2010 - 15:52:14 PDT)
- [AMBER] MMPBSA warning George Tzotzos (Fri Jun 18 2010 - 03:54:54 PDT)
- [AMBER] mmpbsa RANAJIT SHINDE (Fri Jun 18 2010 - 04:30:25 PDT)
- [AMBER] a query about analysis oguz gurbulak (Fri Jun 18 2010 - 04:37:51 PDT)
- [AMBER] PBC in umbrella sampling dhacademic (Fri Jun 18 2010 - 07:45:14 PDT)
- [AMBER] bond angle and distance problem Hoshin Kim (Thu Jun 17 2010 - 21:54:01 PDT)
- [AMBER] radial distribution function Ganesh Kamath (Fri Jun 18 2010 - 13:39:33 PDT)
- [AMBER] how to use a distant-dependent dielectric constant of "epsilon = 4r" DeChang Li (Fri Jun 18 2010 - 20:54:48 PDT)
- [AMBER] antechamber issue and parameters for heme of cyp3a4 vaibhav dixit (Fri Jun 18 2010 - 22:00:47 PDT)
- [AMBER] constant pH equilibration confusion Sangita Kachhap (Sat Jun 19 2010 - 00:55:52 PDT)
- [AMBER] two questions about Amber annealing Yiyu Li (Sat Jun 19 2010 - 20:17:08 PDT)
- [AMBER] Query- Heating after Equilibration Jagdeesh C (Sat Jun 19 2010 - 23:16:19 PDT)
- [AMBER] "prepin", ".frcmod" and "pdb" files of 5-methylcytidine (for DNA (dC) no RNA) Ehsan Habibi (Sun Jun 20 2010 - 03:25:47 PDT)
- [AMBER] Problem with pmed installation: Amber 10 Devlina Chakravarty (Mon Jun 21 2010 - 03:53:15 PDT)
- [AMBER] constant pH simulation ERROR "vlimit exceeded for step" Sangita Kachhap (Mon Jun 21 2010 - 04:10:28 PDT)
- [AMBER] unexpected "vlimit exceeded for step" error Cristina Sisu (Mon Jun 21 2010 - 10:25:49 PDT)
- [AMBER] periodic images of truc. octahedron in vmd Paul Brandt (Mon Jun 21 2010 - 13:52:06 PDT)
- [AMBER] (no subject) moitrayee.mbu.iisc.ernet.in (Mon Jun 21 2010 - 22:16:45 PDT)
- [AMBER] improper for NH2 group in guanosine Dmitry Nilov (Tue Jun 22 2010 - 03:11:51 PDT)
- [AMBER] Unknown clustering algorithm_ptraj_ambertools1.4 moitrayee.mbu.iisc.ernet.in (Tue Jun 22 2010 - 06:56:23 PDT)
- [AMBER] about alanine scanning lidansa.mail.ustc.edu.cn (Tue Jun 22 2010 - 08:47:53 PDT)
- [AMBER] how to modify the code to save the trajectory of ONLY one part of atoms in .mdcrd file ? Dongshan Wei (Tue Jun 22 2010 - 09:16:16 PDT)
- [AMBER] radial distribution function in amber Ganesh Kamath (Tue Jun 22 2010 - 10:10:24 PDT)
- [AMBER] constant pH simulation ERROR "vlimit exceeded for step" Sangita Kachhap (Tue Jun 22 2010 - 12:42:18 PDT)
- [AMBER] antechamber/gasteiger problem with FMN Eric Pettersen (Tue Jun 22 2010 - 13:08:46 PDT)
- [AMBER] stripping water and cross-correlation analysis Homa Azizian (Tue Jun 22 2010 - 18:23:08 PDT)
- [AMBER] speed of analysis Homa Azizian (Tue Jun 22 2010 - 22:04:13 PDT)
- [AMBER] simulating in urea monica.imtech.res.in (Tue Jun 22 2010 - 23:30:11 PDT)
- [AMBER] dna monica.imtech.res.in (Wed Jun 23 2010 - 02:16:48 PDT)
- [AMBER] dna Kevin Hauser (Wed Jun 23 2010 - 05:45:29 PDT)
- [AMBER] pre-processing of trajectories moitrayee.mbu.iisc.ernet.in (Wed Jun 23 2010 - 07:02:08 PDT)
- [AMBER] restraint during constant pH Sangita Kachhap (Wed Jun 23 2010 - 07:39:35 PDT)
- [AMBER] Ptraj error - ERROR in safe_malloc Siddharth Rastogi (Wed Jun 23 2010 - 09:45:19 PDT)
- [AMBER] MMPBSA.py install problem Oliver Grant (Wed Jun 23 2010 - 09:48:39 PDT)
- [AMBER] amberhome not set Ping (Wed Jun 23 2010 - 13:42:06 PDT)
- [AMBER] How to build a TT dimer Shi Choong (Wed Jun 23 2010 - 19:40:55 PDT)
- [AMBER] Restraint John S (Wed Jun 23 2010 - 21:10:07 PDT)
- [AMBER] [Fwd: Re: pre-processing of trajectories] moitrayee.mbu.iisc.ernet.in (Thu Jun 24 2010 - 00:21:16 PDT)
- [AMBER] Kinetic energy after heating is zero Ashutosh Shandilya (Thu Jun 24 2010 - 03:28:14 PDT)
- [AMBER] inter_intra - energy balaji nagarajan (Thu Jun 24 2010 - 05:35:55 PDT)
- [AMBER] RESP charge of heavy metal contained complex Jia Xu (Thu Jun 24 2010 - 08:37:00 PDT)
- [AMBER] AmberTool 1.4 ptraj error Steve Seibold (Thu Jun 24 2010 - 08:58:44 PDT)
- [AMBER] intra-inter energy balaji nagarajan (Thu Jun 24 2010 - 09:05:38 PDT)
- [AMBER] AMBER11 and AmberTools1.4 errors Steve Seibold (Thu Jun 24 2010 - 10:18:46 PDT)
- [AMBER] (no subject) Steve Seibold (Thu Jun 24 2010 - 11:14:19 PDT)
- [AMBER] (no subject) Steve Seibold (Thu Jun 24 2010 - 12:50:24 PDT)
- [AMBER] MMPBSA.py NameError: global name 'diffstdev' is not defined Oliver Grant (Fri Jun 25 2010 - 01:58:14 PDT)
- [AMBER] Can't locate mm_pbsa_global.pm in .INC fancy2012 (Fri Jun 25 2010 - 02:05:37 PDT)
- [AMBER] Combine trajectory files error Steve Seibold (Fri Jun 25 2010 - 07:54:26 PDT)
- [AMBER] AMBER, shenna shearin has invited you to open a Google mail account shenna shearin (Fri Jun 25 2010 - 08:47:42 PDT)
- [AMBER] cluster analysis shenna shearin (Fri Jun 25 2010 - 11:11:27 PDT)
- [AMBER] mme and mme2 produce different energies Kevin Wiehe (Fri Jun 25 2010 - 11:36:50 PDT)
- [AMBER] Checksums? Marc Moreau (Fri Jun 25 2010 - 12:58:26 PDT)
- [AMBER] ptraj (AT 1.4) hiccups with gzipped trajectory files Paul S. Nerenberg (Fri Jun 25 2010 - 16:55:26 PDT)
- [AMBER] Segmentation fault Jagdeesh C (Sat Jun 26 2010 - 03:06:23 PDT)
- [AMBER] Constant protonation vs. constant pH simulation nicholus bhattacharjee (Sat Jun 26 2010 - 05:19:18 PDT)
- [AMBER] ptraj.MPI in Ambertools1.4 : Compression is not currently supported for parallel ptraj M. Reza Ganjalikhany (Sun Jun 27 2010 - 02:52:28 PDT)
- [AMBER] mmpbsa installation rameshwar prajapati (Sun Jun 27 2010 - 04:53:48 PDT)
- [AMBER] RMSD calculation per reside wise not rmse/time by ptraj REENU KHATTRI (Sun Jun 27 2010 - 06:55:50 PDT)
- [AMBER] is there any command to superimpose/align a protein in amber8 to get less RMSD residue wise REENU KHATTRI (Sun Jun 27 2010 - 18:40:24 PDT)
- [AMBER] how to allign the protein with average pdb REENU KHATTRI (Sun Jun 27 2010 - 23:50:46 PDT)
- [AMBER] inter- intra energy balaji nagarajan (Mon Jun 28 2010 - 01:01:02 PDT)
- [AMBER] (no subject) Beale, John (Mon Jun 28 2010 - 04:54:02 PDT)
- [AMBER] Fwd: how to allign the protein with average pdb REENU KHATTRI (Mon Jun 28 2010 - 09:09:33 PDT)
- Re: [AMBER] TUTORIAL A7 Replica Exchange Simulations with AMBER 10 Ross Walker (Mon Jun 28 2010 - 11:36:43 PDT)
- [AMBER] solute ans solvation box Emmanuel Baribefe Naziga (Mon Jun 28 2010 - 13:40:49 PDT)
- [AMBER] Errors in installing amber10 in cygwin (winxp) Yan Gao (Mon Jun 28 2010 - 15:53:56 PDT)
- [AMBER] How to insert a dimer into the pdb file Shi Choong (Mon Jun 28 2010 - 16:43:29 PDT)
- [AMBER] regarding ptraj Asfa Ali (Mon Jun 28 2010 - 22:09:02 PDT)
- [AMBER] force field parameter and resp charge calculation colvin (Tue Jun 29 2010 - 04:03:30 PDT)
- [AMBER] make test.parallel Steve Seibold (Tue Jun 29 2010 - 07:14:34 PDT)
- [AMBER] similarity of quasi-harmonic modes dependent on reference conformation Jose Borreguero (Tue Jun 29 2010 - 19:34:52 PDT)
- [AMBER] Questions with input file in constant pH MD nicholus bhattacharjee (Tue Jun 29 2010 - 22:37:32 PDT)
- [AMBER] mmgbsa tricky output Amor San Juan (Wed Jun 30 2010 - 02:19:53 PDT)
- [AMBER] regarding mmpbsa Asfa Ali (Wed Jun 30 2010 - 03:47:49 PDT)
- [AMBER] Adding Ions. Ajay Ummat (Wed Jun 30 2010 - 11:05:25 PDT)
- [AMBER] vlimit exceeded for step Le, Shu-Yun (NIH/NCI) [E] (Wed Jun 30 2010 - 13:58:57 PDT)
- [AMBER] Any way to apply different dt(time/step) to different steps Yiyu Li (Wed Jun 30 2010 - 19:25:08 PDT)
- [AMBER] adding counterions Ping (Wed Jun 30 2010 - 19:58:34 PDT)
- [AMBER] AmberTools installation in Cygwin Yan Gao (Wed Jun 30 2010 - 20:12:03 PDT)
- [AMBER] ld: duplicate symbol _gauss in ../lib/sys.a(random.o) and rand2.o Yu Chen (Wed Jun 30 2010 - 20:19:27 PDT)
- Last message date: Wed Jun 30 2010 - 22:00:03 PDT
- Archived on: Wed Nov 20 2024 - 05:53:56 PST
