Amber Archive Sep 2010 by thread
- [AMBER] PB warning in pb_miccg 宋德寿 (Tue Aug 31 2010 - 22:30:38 PDT)
- [AMBER] PB warning in pb_miccg 宋德寿 (Tue Aug 31 2010 - 22:32:21 PDT)
- Re: [AMBER] Residue name problem in PTRAJ Fredrick Devadoss (Tue Aug 31 2010 - 23:47:25 PDT)
- [AMBER] hydrogen bond analysis Ehsan Habibi (Wed Sep 01 2010 - 02:05:53 PDT)
- Re: [AMBER] Installing Amber9 on Ubuntu platform Arun Gupta (Wed Sep 01 2010 - 05:19:54 PDT)
- Re: [AMBER] MD and LES Carlos Simmerling (Wed Sep 01 2010 - 07:04:37 PDT)
- [AMBER] ERROR in MM-PBSA Siddharth Rastogi (Wed Sep 01 2010 - 08:10:33 PDT)
- [AMBER] Trivial VMD question Computational Chemist (Wed Sep 01 2010 - 09:30:34 PDT)
- Re: [AMBER] Antechamber issue P Bhattacharya (Wed Sep 01 2010 - 13:10:09 PDT)
- [AMBER] mm_pbsa fails xue wang (Wed Sep 01 2010 - 13:14:11 PDT)
- [AMBER] visualizing the output from PTRAJ -Cluster Senthil Natesan (Wed Sep 01 2010 - 14:14:45 PDT)
- [AMBER] PB warning in pb_miccg 宋德寿 (Wed Sep 01 2010 - 18:35:52 PDT)
- Re: [AMBER] Cut-off distance "in Closest" command of ptraj Amor San Juan (Wed Sep 01 2010 - 19:41:07 PDT)
- Re: [AMBER] MMPBSA.py: minimization issue with nmode Nicolas SAPAY (Thu Sep 02 2010 - 03:07:30 PDT)
- [AMBER] Amber10 tests and benchmark verification failures across compilers Rasale, Anupama (Thu Sep 02 2010 - 04:08:41 PDT)
- [AMBER] installation of Ambertools Rebeca García Fandiño (Thu Sep 02 2010 - 05:14:17 PDT)
- Re: [AMBER] how we increase the number of sugar molecule in a system subrata paul (Thu Sep 02 2010 - 05:19:01 PDT)
- [AMBER] how to add Zn into a protein structure. Chinh Su Tran To (Thu Sep 02 2010 - 05:35:04 PDT)
- [AMBER] 'cluster' option of ptraj: Is it possible to directly feed a file with rmsd values as input? Arvind (Thu Sep 02 2010 - 07:52:14 PDT)
- [AMBER] Is there any Amber training programm in Europe? albert (Thu Sep 02 2010 - 09:39:45 PDT)
- [AMBER] eV to kcal/mol conversion factor Ben Roberts (Thu Sep 02 2010 - 10:33:32 PDT)
- Re: [AMBER] phenylalanine amide FyD (Thu Sep 02 2010 - 11:43:07 PDT)
- [AMBER] Symposium on Accelerating Biology jani vinod (Thu Sep 02 2010 - 22:10:37 PDT)
- [AMBER] QUESTION ON AMBER WORKSHOP or SYMPOSIUM Indrajit Deb (Thu Sep 02 2010 - 23:47:37 PDT)
- [AMBER] explicitly set the ig variable for ntt=3 colvin (Fri Sep 03 2010 - 00:49:40 PDT)
- [AMBER] Heating up the sytem hirdesh kumar (Fri Sep 03 2010 - 01:51:49 PDT)
- [AMBER] Hbond Analysis Mannan (Fri Sep 03 2010 - 02:03:02 PDT)
- Re: [AMBER] about the tutorials Carlos Simmerling (Fri Sep 03 2010 - 05:08:44 PDT)
- [AMBER] extended conjugated systems - possible? Hannes Loeffler (Fri Sep 03 2010 - 06:32:59 PDT)
- [AMBER] cis/trans transition Jorgen Simonsen (Fri Sep 03 2010 - 08:25:50 PDT)
- [AMBER] printing rdc violations Eliana Asciutto (Fri Sep 03 2010 - 09:40:54 PDT)
- [AMBER] how to set charge and radius of my own custom ion Anbang Li (Fri Sep 03 2010 - 16:14:27 PDT)
- [AMBER] ptraj-problem Rilei Yu (Fri Sep 03 2010 - 18:04:38 PDT)
- [AMBER] mm_pbsa nmode error Sangita Kachhap (Sat Sep 04 2010 - 04:41:33 PDT)
- [AMBER] ERROR in safe_malloc: Error in alloc of -2030981184 bytes Ehsan Habibi (Sat Sep 04 2010 - 09:23:15 PDT)
- [AMBER] read the traj file to analyzing hbonds Ehsan Habibi (Sun Sep 05 2010 - 10:47:47 PDT)
- [AMBER] significance of time-average or representative structures from MD Senthil Natesan (Sun Sep 05 2010 - 11:01:55 PDT)
- [AMBER] builiding an oxide substrate tomba.uni-bremen.de (Sun Sep 05 2010 - 15:22:27 PDT)
- [AMBER] pmemd.cuda errors on GTX400 series cards - USER POLL Sasha Buzko (Sun Sep 05 2010 - 15:47:41 PDT)
- [AMBER] Water Box Shape hirdesh kumar (Sun Sep 05 2010 - 23:17:06 PDT)
- [AMBER] which conformation to choose asaki asaki (Mon Sep 06 2010 - 03:18:34 PDT)
- [AMBER] problem of GTX480 running pmemd.cuda Yi Xue (Mon Sep 06 2010 - 08:23:18 PDT)
- [AMBER] GLYCAM residue naming manoj singh (Mon Sep 06 2010 - 09:05:28 PDT)
- [AMBER] Gamma_ln in REMD Lekpa Duukori (Mon Sep 06 2010 - 16:37:19 PDT)
- [AMBER] Quasiharmonic Analysis Tyler Glembo (Mon Sep 06 2010 - 22:55:40 PDT)
- [AMBER] NMR multiple structures Baptiste Legrand (Tue Sep 07 2010 - 02:30:05 PDT)
- [AMBER] NAMD -trajectory and amber10 mm_pbsa Sangita Kachhap (Tue Sep 07 2010 - 06:44:52 PDT)
- [AMBER] Query regarding the Hydrogen Bond duration analysis hirdesh kumar (Tue Sep 07 2010 - 07:17:02 PDT)
- Re: [AMBER] About dipoles hong-bin Xie (Tue Sep 07 2010 - 10:22:46 PDT)
- [AMBER] $AMBERHOME/test/LES_noPME/Run.LESmd Alan (Tue Sep 07 2010 - 10:33:15 PDT)
- [AMBER] Confirmation of System equilibration ? hirdesh kumar (Tue Sep 07 2010 - 20:38:41 PDT)
- [AMBER] amber7 vs xleap on 64bit machine Rossella Noschese (Wed Sep 08 2010 - 02:48:44 PDT)
- [AMBER] Compilation problems for amber9/parallel (aka: How to use g77?) Frank Thommen (Wed Sep 08 2010 - 05:37:37 PDT)
- [AMBER] mixing GAFF with CHARMM Alan (Wed Sep 08 2010 - 10:35:32 PDT)
- [AMBER] Create a carbon nanotube. moacyr comar (Wed Sep 08 2010 - 11:28:18 PDT)
- [AMBER] Atom selection Rahul Banerjee (Wed Sep 08 2010 - 19:27:42 PDT)
- [AMBER] pmemd installation colvin (Thu Sep 09 2010 - 02:04:17 PDT)
- [AMBER] Varying restraint values on subsets of a restraint mask in sander/pmemd Matthew Tessier (Thu Sep 09 2010 - 07:02:48 PDT)
- [AMBER] Restraints for Glycan in REMD Lekpa Duukori (Thu Sep 09 2010 - 08:24:06 PDT)
- [AMBER] installation of python script for mm_pbsa Sangita Kachhap (Thu Sep 09 2010 - 09:17:03 PDT)
- [AMBER] mmpbsa problem Lidong Wang (Thu Sep 09 2010 - 09:43:24 PDT)
- [AMBER] Building a sequence using a new molecular fragment Millen, Andrea (Thu Sep 09 2010 - 17:04:06 PDT)
- [AMBER] AMBER 11 with OpenMPI and Intel Compiler on MacOSX Kazuo Ohta (Thu Sep 09 2010 - 23:01:21 PDT)
- [AMBER] compilation fails ALL make.parallel tests Daniel Sindhikara (Fri Sep 10 2010 - 02:56:09 PDT)
- [AMBER] Complex distorts during pressure adjustment in equilibration Alexander Metz (Fri Sep 10 2010 - 03:40:47 PDT)
- [AMBER] PTRAJ residue naming problem. Hoshin Kim (Fri Sep 10 2010 - 11:26:31 PDT)
- [AMBER] Questions on Minimization Jiang Yusheng (Fri Sep 10 2010 - 12:21:20 PDT)
- [AMBER] sleap error manoj singh (Fri Sep 10 2010 - 12:47:57 PDT)
- [AMBER] pmemd 11 (parallel) compilation error Paul S. Nerenberg (Fri Sep 10 2010 - 16:27:25 PDT)
- [AMBER] RESP calculation using non-Gaussian software? Ilyas Yildirim (Fri Sep 10 2010 - 17:51:11 PDT)
- [AMBER] How to control the speed of heating? xqkong (Sat Sep 11 2010 - 01:59:36 PDT)
- [AMBER] ig value M. Reza Ganjalikhany (Sat Sep 11 2010 - 14:44:32 PDT)
- [AMBER] MMPBSA.py installation error Sangita Kachhap (Sun Sep 12 2010 - 03:59:22 PDT)
- [AMBER] PMEMD with CUDA support for Windows? Thomas Patko (Sun Sep 12 2010 - 06:35:59 PDT)
- [AMBER] memory allocation problem? Seibold, Stephen (Sun Sep 12 2010 - 09:21:43 PDT)
- [AMBER] contacts command Andrew Voronkov (Sun Sep 12 2010 - 13:41:01 PDT)
- [AMBER] question on diffusion comand in ptraj Andrew Voronkov (Sun Sep 12 2010 - 13:54:10 PDT)
- [AMBER] remd coordinate output Jorgen Simonsen (Mon Sep 13 2010 - 03:19:43 PDT)
- [AMBER] Average distance between two hydrogens over a 1 ns simulation Edward M. (Mon Sep 13 2010 - 04:39:17 PDT)
- [AMBER] MD based on 3D-RISM can be really used in AMBER11? kyousuke_tsumura.fujifilm.co.jp (Mon Sep 13 2010 - 04:44:46 PDT)
- [AMBER] regarding wham analysis jani vinod (Mon Sep 13 2010 - 04:45:13 PDT)
- [AMBER] ptraj hbond analysis George Tzotzos (Mon Sep 13 2010 - 06:55:13 PDT)
- [AMBER] ptraj image, overlap of molecules Nadine Utz (Mon Sep 13 2010 - 07:22:57 PDT)
- [AMBER] chamber At line 2692 of file _psfprm.f Jorgen Simonsen (Mon Sep 13 2010 - 08:00:30 PDT)
- [AMBER] Question about Heating and equilibration protocol? M. Reza Ganjalikhany (Mon Sep 13 2010 - 10:25:36 PDT)
- [AMBER] Pressure in bar or atm? Ben Roberts (Mon Sep 13 2010 - 13:01:46 PDT)
- [AMBER] Exactly the same energy output over multiple runs of cuda_SPDP Trevor Gokey (Mon Sep 13 2010 - 16:33:29 PDT)
- [AMBER] LD and SGLD runs (Simulations) shaktis.gbu.ac.in (Mon Sep 13 2010 - 18:53:40 PDT)
- [AMBER] unit of Bfactor Ashutosh Shandilya (Mon Sep 13 2010 - 22:52:30 PDT)
- [AMBER] Residues with multiple conformations George Tzotzos (Tue Sep 14 2010 - 06:54:15 PDT)
- [AMBER] set coordinate axis eduardo.troche.uvigo.es (Tue Sep 14 2010 - 07:09:27 PDT)
- [AMBER] units of eigenvalues from pca moitrayee.mbu.iisc.ernet.in (Tue Sep 14 2010 - 11:43:50 PDT)
- [AMBER] mm_pbsa.pl error for per residue decomposition. manoj singh (Tue Sep 14 2010 - 18:59:28 PDT)
- [AMBER] comparison of PDBs from clustering - representative, average and from rst file Andrew Voronkov (Wed Sep 15 2010 - 11:57:19 PDT)
- [AMBER] Domainwise rmsd using ptraj rms moitrayee.mbu.iisc.ernet.in (Wed Sep 15 2010 - 13:25:54 PDT)
- [AMBER] Fwd: comparison of PDBs from clustering - representative, average and from rst file Andrew Voronkov (Wed Sep 15 2010 - 13:37:44 PDT)
- [AMBER] Compaliation of sander.APBS Hemant Kumar (Wed Sep 15 2010 - 17:11:33 PDT)
- [AMBER] Nudge elastic band, DNA Replica temperature does not go to zero. Abhishek Singh (Thu Sep 16 2010 - 09:21:17 PDT)
- [AMBER] Nudge elastic band, DNA Replica temperature does not go to zero. Abhishek Singh (Thu Sep 16 2010 - 09:28:53 PDT)
- [AMBER] pmemd.MPI problem George Tzotzos (Thu Sep 16 2010 - 10:35:10 PDT)
- [AMBER] netCDF support for mmpbsa.py + general question Trevor Gokey (Thu Sep 16 2010 - 11:12:22 PDT)
- Re: [AMBER] Using AMBER force field for ionic compounds Preshit Dandekar (Thu Sep 16 2010 - 12:07:36 PDT)
- [AMBER] Sander/pmemd usage: refc question mdkvia.yahoo.com (Thu Sep 16 2010 - 12:10:39 PDT)
- [AMBER] ambertools1.4 install problem Anuradha Mittal (Thu Sep 16 2010 - 15:36:52 PDT)
- [AMBER] Restraint of atom distance during minimization tong Zhu (Thu Sep 16 2010 - 23:32:06 PDT)
- [AMBER] ptraj clustering for long trajetories Senthil Natesan (Fri Sep 17 2010 - 07:51:18 PDT)
- [AMBER] Water pdb parameterization Anthony Costa (Fri Sep 17 2010 - 13:29:01 PDT)
- [AMBER] Nudge elastic band, DNA Replica temperature does not go to zero. Abhishek Singh (Fri Sep 17 2010 - 14:54:20 PDT)
- [AMBER] A question regarding mm_pbsa_statistics.pl bin wang (Fri Sep 17 2010 - 15:39:25 PDT)
- [AMBER] problem of nmode calculation fancy2012 (Fri Sep 17 2010 - 19:01:21 PDT)
- [AMBER] Restrainmask problem xue wang (Fri Sep 17 2010 - 20:08:54 PDT)
- [AMBER] Regarding atomic charges in parmtop file aneesh cna (Sat Sep 18 2010 - 03:26:37 PDT)
- [AMBER] Clarification: nscm and iwrap mdkvia.yahoo.com (Sat Sep 18 2010 - 04:36:11 PDT)
- [AMBER] inconsistency between steered Md and GBSA MEHMET ALI OZTURK (Sat Sep 18 2010 - 12:57:37 PDT)
- [AMBER] Blowing array Seibold, Stephen (Sat Sep 18 2010 - 14:19:20 PDT)
- [AMBER] Amber11 compile issue Anuradha Mittal (Sat Sep 18 2010 - 19:00:48 PDT)
- [AMBER] a pdb-trajout problems bingbing zhang (Sun Sep 19 2010 - 07:57:39 PDT)
- [AMBER] Minimization terminated without any output xue wang (Sun Sep 19 2010 - 08:07:48 PDT)
- [AMBER] making bond to water molecule Jorgen Simonsen (Sun Sep 19 2010 - 12:20:03 PDT)
- [AMBER] Error due to ***s in restart file Arvind (Sun Sep 19 2010 - 14:07:22 PDT)
- [AMBER] Blowing array Seibold, Stephen (Sun Sep 19 2010 - 16:00:42 PDT)
- [AMBER] molecular dynamics simulation-water-box-diffution problem Rilei Yu (Sun Sep 19 2010 - 19:51:29 PDT)
- [AMBER] problems with xleap Rossella Noschese (Mon Sep 20 2010 - 02:55:42 PDT)
- [AMBER] PTRAJ Hbond analysis George Tzotzos (Mon Sep 20 2010 - 02:56:18 PDT)
- [AMBER] GRID-enabled web portal for the use of the AMBER Lucio Ferella (Mon Sep 20 2010 - 05:11:27 PDT)
- [AMBER] on gas phase energies calculation pxq (Mon Sep 20 2010 - 07:55:38 PDT)
- [AMBER] changing mdcrd file to XYZ hong-bin Xie (Mon Sep 20 2010 - 10:01:44 PDT)
- [AMBER] Aromatic C and N atom type problems in Antechamber Gabriel Rocklin (Mon Sep 20 2010 - 13:20:45 PDT)
- [AMBER] constraint of bond Jorgen Simonsen (Mon Sep 20 2010 - 13:28:28 PDT)
- [AMBER] Running MM-PBSA at different temperatures Khaled Barakat (Mon Sep 20 2010 - 17:39:53 PDT)
- [AMBER] how to calculate the interaction energies pxq (Mon Sep 20 2010 - 19:30:07 PDT)
- [AMBER] Problems with Amber 8 PMEMD Su Qiu (Tue Sep 21 2010 - 00:06:08 PDT)
- [AMBER] 2D radial distribution function Lekpa Duukori (Tue Sep 21 2010 - 02:36:45 PDT)
- [AMBER] Creation of a mol2/pdb initial structure file of a pharmaceutical compound. Baptiste Legrand (Tue Sep 21 2010 - 02:45:08 PDT)
- [AMBER] MM_PBSA fillratio error/ compiling mm_pbsa.pl Oliver Grant (Tue Sep 21 2010 - 03:07:28 PDT)
- [AMBER] How to calculate total potential energy for protein chain only? Liu, Jingyuan (Tue Sep 21 2010 - 06:42:40 PDT)
- [AMBER] error in MMPBSA calculation Chanchal (Tue Sep 21 2010 - 07:57:10 PDT)
- [AMBER] How to calculate total potential energy for protein chain only? Liu, Jingyuan (Tue Sep 21 2010 - 08:34:34 PDT)
- [AMBER] MM-PBSA analysis on a protein ligand complex with 32000 atoms marta.gomes.fc.up.pt (Tue Sep 21 2010 - 08:38:20 PDT)
- [AMBER] How to calculate total potential energy for protein chain only? Liu, Jingyuan (Tue Sep 21 2010 - 08:39:25 PDT)
- [AMBER] problems compiling amber10 Jeffrey Sanders (Tue Sep 21 2010 - 09:28:29 PDT)
- [AMBER] hydrogen-deuterium exchange: iso program or papers that outline methods Sidney Elmer (Tue Sep 21 2010 - 09:28:17 PDT)
- [AMBER] pmemd performance colvin (Wed Sep 22 2010 - 01:02:13 PDT)
- [AMBER] Confirmation of stabilisation of protein at equilibrium step shweta (Wed Sep 22 2010 - 01:35:28 PDT)
- [AMBER] Query regarding Hydrogen Bond Duration map hirdesh kumar (Wed Sep 22 2010 - 02:53:04 PDT)
- [AMBER] MM_PBSA stopped at the last step zhihong ke (Wed Sep 22 2010 - 08:40:34 PDT)
- [AMBER] MD on an array of small molecules Joe Bozell (Wed Sep 22 2010 - 11:20:36 PDT)
- [AMBER] Minimum Energy Conformational Structures of Saccharides in Solution Sushil Mishra (Thu Sep 23 2010 - 03:21:21 PDT)
- [AMBER] AmberTools 1.4 installation problem Shradha Chopra Phd2009,BIC (Thu Sep 23 2010 - 04:50:02 PDT)
- [AMBER] PMEMD 10 on OpenMPI with Intel compiler issues CHAMI F. (Thu Sep 23 2010 - 07:28:01 PDT)
- [AMBER] MD for large proteins Laura Perissinotti (Thu Sep 23 2010 - 08:46:58 PDT)
- [AMBER] Shake errors Justine Shaw (Thu Sep 23 2010 - 09:01:47 PDT)
- [AMBER] amber11 installation error Sangita Kachhap (Thu Sep 23 2010 - 09:07:02 PDT)
- [AMBER] mm_pbsa.pl frozen, hanging, stopped at end. Oliver Grant (Thu Sep 23 2010 - 12:12:05 PDT)
- [AMBER] problem with AMOEBA force field Igor Sizov (Thu Sep 23 2010 - 12:16:05 PDT)
- [AMBER] 10-12 hbond terms Philippe Pinard (Thu Sep 23 2010 - 14:36:35 PDT)
- [AMBER] Disulphide Bond Cleavage hirdesh kumar (Thu Sep 23 2010 - 21:01:31 PDT)
- [AMBER] ERROR: The unperturbed charge of the unit: 0.010000 is not integral Bongkeun Kim (Thu Sep 23 2010 - 23:30:06 PDT)
- [AMBER] AMBER 11: Line minimizer aborted: step at lower bound Amor San Juan (Thu Sep 23 2010 - 23:40:23 PDT)
- [AMBER] Analysis of MD simulation Ashutosh Shandilya (Thu Sep 23 2010 - 23:48:00 PDT)
- [AMBER] Extracting backbone dihedral angles Harald Lanig (Fri Sep 24 2010 - 04:07:58 PDT)
- [AMBER] Neutralization of the system by Na+ or Cl- ions are needed or not for constant pH MD simulation nicholus bhattacharjee (Fri Sep 24 2010 - 05:33:54 PDT)
- [AMBER] chamber At line 2692 of file _psfprm.f Jorgen Simonsen (Fri Sep 24 2010 - 07:05:57 PDT)
- [AMBER] missing parameters (dihe) in parm10.dat? Alan (Fri Sep 24 2010 - 07:42:29 PDT)
- Re: [AMBER] Xplor_to_Amber Raman Parkesh (Fri Sep 24 2010 - 14:56:15 PDT)
- [AMBER] Histamine Hydrogen hirdesh kumar (Fri Sep 24 2010 - 23:42:02 PDT)
- [AMBER] Query about restraint minimization hirdesh kumar (Sat Sep 25 2010 - 00:53:57 PDT)
- [AMBER] integer divide by zero Pete Kekenes-Huskey (Sat Sep 25 2010 - 10:24:11 PDT)
- [AMBER] Cieplak work on RESP charges derivation Josmar R. da Rocha (Sat Sep 25 2010 - 14:25:56 PDT)
- [AMBER] can't save the PDB file to produce topology and coordinates file geyan (Sat Sep 25 2010 - 21:43:53 PDT)
- [AMBER] can't save the PDB file to produce topology and coordinates file geyan (Sun Sep 26 2010 - 00:20:57 PDT)
- [AMBER] Phosphate group treatment shweta (Sun Sep 26 2010 - 01:32:45 PDT)
- [AMBER] disulfide bonds in amoeba case (Sun Sep 26 2010 - 06:55:34 PDT)
- [AMBER] loop relaxation with les Simon Becker (Sun Sep 26 2010 - 07:34:06 PDT)
- [AMBER] problem with MMPBSA juzer stationwala (Sun Sep 26 2010 - 07:45:55 PDT)
- [AMBER] How to disable the function to look for N terminal in leap? Hugh Cheng (Sun Sep 26 2010 - 21:51:19 PDT)
- [AMBER] cubic box subrata paul (Sun Sep 26 2010 - 22:19:35 PDT)
- [AMBER] Addition of extra-interaction term to LJ-potential: modification of souce code kurisaki ikuo (Mon Sep 27 2010 - 00:12:51 PDT)
- [AMBER] rmsd of a subunit I w.r.t subunit II moitrayee.mbu.iisc.ernet.in (Mon Sep 27 2010 - 03:04:54 PDT)
- [AMBER] mmpbsa.py.mpi error Anuradha Mittal (Mon Sep 27 2010 - 10:05:08 PDT)
- [AMBER] AMBER RESTART QUESTIONS Yu, Bingwu (Mon Sep 27 2010 - 10:41:39 PDT)
- [AMBER] Missing atom types between leaprc.ff99SB and parm99.dat Christopher Roberts (Mon Sep 27 2010 - 12:29:01 PDT)
- [AMBER] AMBER RESTART QUESTIONS Yu, Bingwu (Mon Sep 27 2010 - 13:54:44 PDT)
- [AMBER] sander gb post-processing fail Trevor Gokey (Mon Sep 27 2010 - 14:25:16 PDT)
- [AMBER] ibelly doesn't work qiaoyan (Mon Sep 27 2010 - 19:01:55 PDT)
- [AMBER] parameters of SEP and TPO can't match SEP TPO fancy2012 (Mon Sep 27 2010 - 20:14:23 PDT)
- [AMBER] Disulphide bond breakage during minimization hirdesh kumar (Mon Sep 27 2010 - 22:48:25 PDT)
- [AMBER] calculation of inter atomic distances Ashutosh Shandilya (Tue Sep 28 2010 - 00:16:55 PDT)
- [AMBER] running pmemd fails Vijay Manickam Achari (Tue Sep 28 2010 - 02:08:26 PDT)
- [AMBER] Solvent accessible surface of certain residues hirdesh kumar (Tue Sep 28 2010 - 02:52:58 PDT)
- [AMBER] H-bonb calculation Sangita Kachhap (Tue Sep 28 2010 - 05:58:54 PDT)
- [AMBER] ptraj, unit cell wrapping and velocities Ben Roberts (Tue Sep 28 2010 - 13:23:36 PDT)
- [AMBER] Question on simulation Jiang Yusheng (Tue Sep 28 2010 - 15:14:16 PDT)
- [AMBER] implicit solvent model and charged chain Jorgen Simonsen (Tue Sep 28 2010 - 22:07:12 PDT)
- [AMBER] prep file Andrei Neamtu (Tue Sep 28 2010 - 23:33:35 PDT)
- [AMBER] FW: Atom type assignment for formyl group Carter M.K. (Wed Sep 29 2010 - 04:59:48 PDT)
- [AMBER] tLeap memory leak Martin Brieg (Wed Sep 29 2010 - 06:34:07 PDT)
- [AMBER] MMPBSA.py.MPI with MVAPICH2 Senthil Natesan (Wed Sep 29 2010 - 08:45:59 PDT)
- [AMBER] leap for peptide with new residue Francesco Pietra (Wed Sep 29 2010 - 09:48:14 PDT)
- [AMBER] vlimit exceeds nicholus bhattacharjee (Wed Sep 29 2010 - 09:48:32 PDT)
- [AMBER] Cluster analysis ros (Wed Sep 29 2010 - 17:48:10 PDT)
- [AMBER] TI-Problems Kirsten Heitmann (Thu Sep 30 2010 - 00:14:20 PDT)
- [AMBER] spc/e water subrata paul (Thu Sep 30 2010 - 01:29:16 PDT)
- [AMBER] bonded model xuemeiwang1103 (Thu Sep 30 2010 - 01:51:58 PDT)
- [AMBER] Incorrect handling of phenylalanine amide by antechamber Francesco Pietra (Thu Sep 30 2010 - 02:25:58 PDT)
- [AMBER] Cu2+ parameters babak minoofar (Thu Sep 30 2010 - 02:36:34 PDT)
- [AMBER] GBOBC cutoff distances David Tanner (Thu Sep 30 2010 - 09:42:36 PDT)
- Re: [AMBER] pmemd.cuda error with group restraint Ross Walker (Thu Sep 30 2010 - 17:35:12 PDT)
- Last message date: Thu Sep 30 2010 - 18:00:03 PDT
- Archived on: Wed Apr 24 2024 - 05:54:08 PDT
