AMBER Archive (2009) - Jun 2009 By ThreadMost recent messages
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About this archive
Starting: Mon Jun 01 2009 - 02:35:32 CDT
Ending: Tue Jun 30 2009 - 15:22:14 CDT
- [AMBER] sleap and delete FyD (Mon Jun 01 2009 - 02:35:32 CDT)
- [AMBER] converting vibrational frequency aneesh cna (Mon Jun 01 2009 - 06:22:01 CDT)
- [AMBER] atom number exceeds the MAXATOM when running antechamber xueqin pang (Mon Jun 01 2009 - 07:53:23 CDT)
- [AMBER] different comformations to choose for RESP xueqin pang (Mon Jun 01 2009 - 08:47:30 CDT)
- [AMBER] hbond_DNAtraj balaji nagarajan (Mon Jun 01 2009 - 12:08:15 CDT)
- [AMBER] minimization to reduce covalent deviation Peter Varnai (Mon Jun 01 2009 - 15:25:07 CDT)
- [AMBER] how to choose different comformations for RESP xueqin pang (Mon Jun 01 2009 - 19:32:51 CDT)
- [AMBER] MMPBSA and mm_pbsa_statistics.pl error john smith (Tue Jun 02 2009 - 00:38:54 CDT)
- [AMBER] how to add ions bharat lakhani (Tue Jun 02 2009 - 02:25:46 CDT)
- [AMBER] Atom names Rose Tamil (Tue Jun 02 2009 - 05:53:50 CDT)
- [AMBER] help with parameters for ions rebeca (Tue Jun 02 2009 - 07:46:14 CDT)
- [AMBER] Error in MM PBSA Vikas Sharma (Tue Jun 02 2009 - 08:42:16 CDT)
- Fwd: Re: [AMBER] help with parameters for ions rebeca (Tue Jun 02 2009 - 13:33:41 CDT)
- [AMBER] PARMSCAN alegil_at_fq.uh.cu (Tue Jun 02 2009 - 17:26:42 CDT)
- [AMBER] PARMSCAN alegil_at_fq.uh.cu (Tue Jun 02 2009 - 17:41:54 CDT)
- [AMBER] preparation of two solutes of organic molecules in a simulation box Workalemhu Berhanu (Tue Jun 02 2009 - 18:09:04 CDT)
- [AMBER] addions Shubhra Gupta (Wed Jun 03 2009 - 00:47:11 CDT)
- [AMBER] Distance restraints between groups of atoms Germain Vallverdu (Wed Jun 03 2009 - 01:58:57 CDT)
- [AMBER] use of random seed in multiple runs Andrew Voronkov (Wed Jun 03 2009 - 04:28:52 CDT)
- [AMBER] only ff94 and ff99 for GBSA? Andrew Voronkov (Wed Jun 03 2009 - 05:28:15 CDT)
- [AMBER] NO output when running espgen? xueqin pang (Wed Jun 03 2009 - 08:13:06 CDT)
- [AMBER] Pentavalent Phosphorous and Antechamber Peterson, Matthew W. (Wed Jun 03 2009 - 09:12:44 CDT)
- [AMBER] spc.itp for the Amber force field rebeca (Wed Jun 03 2009 - 09:46:46 CDT)
- [AMBER] problems with EP of TIP4PEW rebeca (Wed Jun 03 2009 - 10:43:58 CDT)
- [AMBER] creating bond Jorgen Simonsen (Wed Jun 03 2009 - 12:04:11 CDT)
- [AMBER] ptraj image in non-orthorhombic cell Joanna Panecka (Wed Jun 03 2009 - 15:19:52 CDT)
- [AMBER] bad atom type in mm_pbsa calculation. How to solve it? Thanks! Haizhen Zhong (Wed Jun 03 2009 - 18:00:34 CDT)
- [AMBER] no output when running Antechamber(espgen) xueqin pang (Thu Jun 04 2009 - 01:02:32 CDT)
- [AMBER] how to add water for membrane, in Z direction only or xyz xueqin pang (Thu Jun 04 2009 - 03:13:07 CDT)
- [AMBER] Binding Energy Vikas Sharma (Thu Jun 04 2009 - 06:25:01 CDT)
- [AMBER] Error in MM PBSA Vikas Sharma (Thu Jun 04 2009 - 09:58:43 CDT)
- [AMBER] mol2 file to amber pdb file format balaji nagarajan (Thu Jun 04 2009 - 11:32:06 CDT)
- [AMBER] rescaling velocities abi ghanem (Thu Jun 04 2009 - 11:39:02 CDT)
- [AMBER] ptraj_hbond_problem balaji nagarajan (Thu Jun 04 2009 - 17:08:24 CDT)
- [AMBER] Warning: No sp2 improper torsion term for Alan (Fri Jun 05 2009 - 07:26:55 CDT)
- [AMBER] parameter for dihedral angle Jorgen Simonsen (Fri Jun 05 2009 - 10:16:56 CDT)
- [AMBER] Proper ISTRNG value ? Marek Maly (Fri Jun 05 2009 - 11:24:58 CDT)
- [AMBER] Computational Alanine Scanning using mm_pbsa, any tutorial for amber9 or amber 10 version? Haizhen Zhong (Fri Jun 05 2009 - 18:17:01 CDT)
- [AMBER] average torsional energy Francesco Pietra (Sat Jun 06 2009 - 11:57:49 CDT)
- [AMBER] MaxRad ? Marek Maly (Sat Jun 06 2009 - 15:56:44 CDT)
- [AMBER] POL3 Hemant Kumar (Sun Jun 07 2009 - 13:27:29 CDT)
- [AMBER] vs_vikassharma@yahoo.co.in has sent you a private message Vikas S (Sun Jun 07 2009 - 14:28:00 CDT)
- [AMBER] Max filename length in Sander? Paul Mortenson (Mon Jun 08 2009 - 05:59:52 CDT)
- [AMBER] (no subject) Vishal Maingi (Mon Jun 08 2009 - 06:14:22 CDT)
- [AMBER] Lost mail Robert Duke (Mon Jun 08 2009 - 06:58:02 CDT)
- [AMBER] problem with creation of prmtop and prmcrd files moitrayee_at_mbu.iisc.ernet.in (Mon Jun 08 2009 - 08:00:18 CDT)
- [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files] moitrayee_at_mbu.iisc.ernet.in (Mon Jun 08 2009 - 09:28:14 CDT)
- [AMBER] sander error Beale, John (Mon Jun 08 2009 - 09:43:24 CDT)
- [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files]] moitrayee_at_mbu.iisc.ernet.in (Mon Jun 08 2009 - 09:30:21 CDT)
- [AMBER] Unknown residue: MOL number: 30 type: Terminal/last Workalemhu Berhanu (Mon Jun 08 2009 - 13:30:43 CDT)
- [AMBER] mm_pbsa_statistics-CALC DELTA parameter ? Marek Maly (Mon Jun 08 2009 - 14:16:19 CDT)
- [AMBER] Strange contacts with water molecules Jordan MONNET (Mon Jun 08 2009 - 16:39:26 CDT)
- [AMBER] Error in MM PBSA (vertex atom mismatch) Vikas Sharma (Tue Jun 09 2009 - 01:33:38 CDT)
- [AMBER] ptraj quasiharmonic analysis Neha Gandhi (Tue Jun 09 2009 - 01:38:01 CDT)
- [AMBER] (no subject) david.lisgarten_at_canterbury.ac.uk (Tue Jun 09 2009 - 05:23:57 CDT)
- [AMBER] SOS - too high binding energy Marek Maly (Tue Jun 09 2009 - 05:49:43 CDT)
- [AMBER] unit of charge in prep files moitrayee_at_mbu.iisc.ernet.in (Tue Jun 09 2009 - 06:35:51 CDT)
- [AMBER] Question of about MM-PBSA and mm_pbsa_createinput.pm script Samuel Genheden (Tue Jun 09 2009 - 07:43:19 CDT)
- [AMBER] Vertex atom mismatch in Amber Vikas Sharma (Tue Jun 09 2009 - 08:41:33 CDT)
- [AMBER] DNA as well as protein distorted during MD run in sander Jayalakshmi Sridhar (Tue Jun 09 2009 - 09:30:39 CDT)
- [AMBER] Improper dihedrals between residues? Ben Roberts (Tue Jun 09 2009 - 11:11:15 CDT)
- Re: [AMBER] Improper dihedrals between residues? Bill Ross (Tue Jun 09 2009 - 14:04:02 CDT)
- [AMBER] POL3 & SHAKE Hemant Gangwar (Tue Jun 09 2009 - 15:53:27 CDT)
- [AMBER] MM PBSA ( Vertex atom mismatch in Amber) Vikas Sharma (Tue Jun 09 2009 - 22:28:22 CDT)
- [AMBER] GAFF and solvents.lib error Vishal Maingi (Wed Jun 10 2009 - 05:25:38 CDT)
- [AMBER] Thermodynamic parameters in mm_PBSA - NAB ? Marek Maly (Wed Jun 10 2009 - 05:33:59 CDT)
- [AMBER] partial charges from AM1-BCC and RESP differ a lot xueqin pang (Wed Jun 10 2009 - 07:39:31 CDT)
- [AMBER] force.f routine Brad Dickson (Wed Jun 10 2009 - 07:56:39 CDT)
- [AMBER] Completed installation of AmberTools, version 1.1 Alan (Wed Jun 10 2009 - 08:13:37 CDT)
- [AMBER] Error in AMBER ( Vertex atom mismatch in Amber) Vikas Sharma (Wed Jun 10 2009 - 08:14:28 CDT)
- [AMBER] question lev kantorovich (Wed Jun 10 2009 - 09:20:08 CDT)
- [AMBER] compiling amber10 with mac intel, ifort/icc and mpi Alan (Wed Jun 10 2009 - 09:47:00 CDT)
- [AMBER] RNA and polarizable force field Abhishek Singh (Wed Jun 10 2009 - 10:30:29 CDT)
- [AMBER] glycopeptide Parametrization guardiani_at_fi.infn.it (Wed Jun 10 2009 - 10:41:14 CDT)
- [AMBER] GAFF atom type question Cen Gao (Wed Jun 10 2009 - 10:49:00 CDT)
- [AMBER] entangle-less building Vishal Maingi (Wed Jun 10 2009 - 12:52:51 CDT)
- [AMBER] Generating LeAP file for helix containing non-standard amino acid Brothers, Michael Charles (Wed Jun 10 2009 - 13:26:32 CDT)
- [AMBER] input coordinates for vdW transition step in Amber 10 TI Jodi Hadden (Wed Jun 10 2009 - 15:27:16 CDT)
- Re: [AMBER] entangle-less building Bill Ross (Wed Jun 10 2009 - 17:38:31 CDT)
- [AMBER] Vertex atom mismatch in Amber Vikas Sharma (Wed Jun 10 2009 - 22:29:57 CDT)
- [AMBER] zinc coordination of benzimidazole Aust, Susanne (Thu Jun 11 2009 - 02:09:59 CDT)
- [AMBER] NOE Beale, John (Thu Jun 11 2009 - 07:30:36 CDT)
- [AMBER] GAFF atom type question Cen Gao (Thu Jun 11 2009 - 08:36:52 CDT)
- [AMBER] Copper semiempirical parameters Jacopo Sgrignani (Thu Jun 11 2009 - 08:49:50 CDT)
- [AMBER] PRINCIPAL QUESTION Marek Maly (Thu Jun 11 2009 - 10:41:42 CDT)
- [AMBER] setBox truncated octahedron Myunggi Yi (Thu Jun 11 2009 - 12:27:26 CDT)
- AW: [AMBER] zinc coordination of benzimidazole Aust, Susanne (Fri Jun 12 2009 - 01:13:19 CDT)
- [AMBER] MM PBSA ERROR Vikas Sharma (Fri Jun 12 2009 - 09:04:25 CDT)
- [AMBER] Residues KIRTANA S (Fri Jun 12 2009 - 09:10:39 CDT)
- [AMBER] help KIRTANA S (Fri Jun 12 2009 - 08:42:04 CDT)
- [AMBER] dipole printing Hemant Kumar (Fri Jun 12 2009 - 10:58:29 CDT)
- [AMBER] AMBER ERROR Vikas Sharma (Sat Jun 13 2009 - 02:16:52 CDT)
- [AMBER] Re: [Contact q4md] qurey reagarding RED Server FyD (Sat Jun 13 2009 - 03:08:26 CDT)
- [AMBER] too high in binding energy (MM-PBSA) Maryam Hamzehee (Sat Jun 13 2009 - 04:53:43 CDT)
- [AMBER] PLEASE HELP - PDB Modification s_bill36_at_yahoo.co.uk (Sun Jun 14 2009 - 12:29:31 CDT)
- [AMBER] parallel error 廖青华 (Mon Jun 15 2009 - 02:31:27 CDT)
- [AMBER] covalent interaction 廖青华 (Mon Jun 15 2009 - 03:06:52 CDT)
- [AMBER] total charge for NPRO in ff03ua Edyta Malolepsza (Mon Jun 15 2009 - 05:09:35 CDT)
- [AMBER] to unsubscribe email Urszula Uciechowska (Mon Jun 15 2009 - 07:59:46 CDT)
- [AMBER] Antechamber am1bcc questions gilbert_at_bluemarble.net (Mon Jun 15 2009 - 08:04:19 CDT)
- [AMBER] to check basepair in ptraj balaji nagarajan (Mon Jun 15 2009 - 09:23:28 CDT)
- [AMBER] Histidine, which form? s_bill36_at_yahoo.co.uk (Mon Jun 15 2009 - 09:54:05 CDT)
- [AMBER] pKa data base.... s. Bill (Mon Jun 15 2009 - 11:01:14 CDT)
- [AMBER] Need help with nab code to access the m_prm struct in a molecule M. L. Dodson (Mon Jun 15 2009 - 14:49:02 CDT)
- [AMBER] Re: connect KIRTANA S (Mon Jun 15 2009 - 15:18:54 CDT)
- Re: [AMBER] Re: connect Bill Ross (Mon Jun 15 2009 - 15:39:32 CDT)
- [AMBER] problem in pressure equillibration wong105_at_llnl.gov (Tue Jun 16 2009 - 01:18:22 CDT)
- [AMBER] Fix the local structure as a rigid body Yunjie Zhao (Tue Jun 16 2009 - 08:11:43 CDT)
- [AMBER] Sander imin=5 option Paul Mortenson (Tue Jun 16 2009 - 09:46:37 CDT)
- [AMBER] MM decomp energy - zero values for Eele, Evdw Thomas Lake (Tue Jun 16 2009 - 10:36:50 CDT)
- [AMBER] connecting residues KIRTANA S (Tue Jun 16 2009 - 10:59:37 CDT)
- Re: [AMBER] Distance-covariance and PCA questions... Bill Ross (Tue Jun 16 2009 - 11:18:40 CDT)
- Re: [AMBER] connecting residues Bill Ross (Tue Jun 16 2009 - 11:37:33 CDT)
- [AMBER] Seg-fault when creating residue Valla Fatemi (Tue Jun 16 2009 - 20:28:43 CDT)
- [AMBER] improper torsion problem Youn Kyeung Lee (Tue Jun 16 2009 - 21:36:14 CDT)
- [AMBER] GLYCAM: warnings by writing topology Sergey Samsonov (Wed Jun 17 2009 - 01:38:56 CDT)
- [AMBER] How to calculate SASA in vmd Mannan (Wed Jun 17 2009 - 01:40:05 CDT)
- Re: [AMBER] improper torsion problem Bill Ross (Wed Jun 17 2009 - 02:47:12 CDT)
- Re: [AMBER] Seg-fault when creating residue Bill Ross (Wed Jun 17 2009 - 02:51:02 CDT)
- [AMBER] vlimit in TI with soft core potential Ye MEI (Wed Jun 17 2009 - 03:20:31 CDT)
- [AMBER] Antechamber: stuck at bondtype Jack Shultz (Wed Jun 17 2009 - 07:50:11 CDT)
- [AMBER] bond length energy Thomas Lake (Wed Jun 17 2009 - 09:04:55 CDT)
- [AMBER] Specifying improper dihedrals Ben Roberts (Wed Jun 17 2009 - 10:24:14 CDT)
- [AMBER] Coarse grained MD in AMBER ? Siddharth Rastogi (Wed Jun 17 2009 - 13:50:13 CDT)
- [AMBER] where to I get the parameters for Mg divalent ion Mannan (Wed Jun 17 2009 - 23:11:19 CDT)
- [AMBER] force units Brad Dickson (Thu Jun 18 2009 - 02:14:31 CDT)
- [AMBER] Improper dihedrals from .off and .lib files Johan Sund (Thu Jun 18 2009 - 05:15:37 CDT)
- [AMBER] guntheyp_at_aston.ac.uk (Thu Jun 18 2009 - 06:48:21 CDT)
- [AMBER] how to create prmtop and inpcrd files for covalent neutral phenylalanine Madhurima Jana (Thu Jun 18 2009 - 07:39:03 CDT)
- [AMBER] Sulfates parameterization for GAGs in GLYCAM_06 Sergey Samsonov (Thu Jun 18 2009 - 08:07:17 CDT)
- [AMBER] Dyndom Chunliyan (Thu Jun 18 2009 - 10:12:44 CDT)
- [AMBER] Fix Residue continued... Vishal Maingi (Thu Jun 18 2009 - 13:48:03 CDT)
- [AMBER] residue KIRTANA S (Thu Jun 18 2009 - 14:59:50 CDT)
- [AMBER] Re: R.E.D. error message FyD (Thu Jun 18 2009 - 15:13:41 CDT)
- [AMBER] Postdoc position in biomolecular simulation Ivaylo, Ivanov (Thu Jun 18 2009 - 18:26:05 CDT)
- [AMBER] From DLG to Antechamber Jack Shultz (Thu Jun 18 2009 - 19:04:15 CDT)
- [AMBER] Force field parameter for Unionized Phenylalanine HOOC-CH(NH2)-CH2-C6H5 Madhurima Jana (Fri Jun 19 2009 - 01:40:43 CDT)
- [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 02:14:50 CDT)
- AW: [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 06:51:21 CDT)
- [AMBER] methyl group at the N-terminal Francesca Poletti (Fri Jun 19 2009 - 07:03:56 CDT)
- AW: [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 07:39:34 CDT)
- [AMBER] Re: residue KIRTANA S (Fri Jun 19 2009 - 10:03:31 CDT)
- [AMBER] RED Geometry Calculation Error Brothers, Michael Charles (Fri Jun 19 2009 - 13:52:37 CDT)
- [AMBER] atom type no recognize - xleap version 10 but fine in v 9 Peter Gannett (Fri Jun 19 2009 - 14:40:47 CDT)
- [AMBER] PMEMD compilation manoj singh (Fri Jun 19 2009 - 17:49:31 CDT)
- [AMBER] Hard limit in Amber10? Yang, Ping (Fri Jun 19 2009 - 19:21:14 CDT)
- [AMBER] Amber10 Parallel Installation Hopkins, Robert (Sat Jun 20 2009 - 14:50:16 CDT)
- R: [AMBER] Amber10 Parallel Installation sgrignani_at_cerm.unifi.it (Sat Jun 20 2009 - 15:14:38 CDT)
- [AMBER] Your private message from Vikas is about to expire Vikas S (Sun Jun 21 2009 - 01:40:41 CDT)
- [AMBER] Reference Correction Mahmoud A. A. Ibrahim (Sun Jun 21 2009 - 15:11:34 CDT)
- [AMBER] reclaiming space from amber10 installation Alan (Sun Jun 21 2009 - 17:04:53 CDT)
- [AMBER] parameters Fe4S4 cluster KIRTANA S (Sun Jun 21 2009 - 21:30:08 CDT)
- [AMBER] Atom Type List Javier Klett (Mon Jun 22 2009 - 04:54:43 CDT)
- [AMBER] About the Amber tutorial Aurum Bai (Mon Jun 22 2009 - 05:03:49 CDT)
- [AMBER] About the "FATAL: Atom err!" Aurum Bai (Mon Jun 22 2009 - 05:12:23 CDT)
- [AMBER] About the "FATAL: Atom err"! Aurum Bai (Mon Jun 22 2009 - 05:14:20 CDT)
- [AMBER] Error on equilibriation of Amber10 Masakazu SEKIJIMA (Mon Jun 22 2009 - 05:59:55 CDT)
- [AMBER] max atoms for antechamber Alan (Mon Jun 22 2009 - 07:37:39 CDT)
- [AMBER] making leap to recognize 5' phosphate Bala subramanian (Mon Jun 22 2009 - 08:45:43 CDT)
- [AMBER] Re: Regd: Fe4S4 case (Mon Jun 22 2009 - 13:39:57 CDT)
- RE: [Subject Filtered] Re: [AMBER] Amber10 Parallel Installation 8% Hopkins, Robert (Mon Jun 22 2009 - 14:54:17 CDT)
- [AMBER] bad atom type: MN Edward M (Mon Jun 22 2009 - 18:10:54 CDT)
- [AMBER] bad atom type: MN Edward M (Mon Jun 22 2009 - 18:12:09 CDT)
- [AMBER] bad atom type: MN Edward M (Mon Jun 22 2009 - 18:12:09 CDT)
- [AMBER] AMBER question: bad atom type: MN Edward M (Mon Jun 22 2009 - 22:05:51 CDT)
- [AMBER] REMD Shaikh Abdul R S Ramaju (Tue Jun 23 2009 - 00:32:34 CDT)
- [AMBER] guessing the charge of a small molecule Alan (Tue Jun 23 2009 - 03:06:51 CDT)
- [AMBER] Compiling amber 9 with openMPI Myunggi Yi (Tue Jun 23 2009 - 08:31:58 CDT)
- [AMBER] net charge Vishal Maingi (Tue Jun 23 2009 - 09:19:51 CDT)
- [AMBER] SANDER BOMB in subroutine nonbond_list Siddharth Rastogi (Tue Jun 23 2009 - 11:39:58 CDT)
- Re: [AMBER] SANDER BOMB in subroutine nonbond_list Bill Ross (Tue Jun 23 2009 - 11:54:30 CDT)
- [AMBER] re: net charge Vishal Maingi (Tue Jun 23 2009 - 13:56:52 CDT)
- [AMBER] "loadoff tRNA.lib" in Leap Ju Zhang (Tue Jun 23 2009 - 15:55:25 CDT)
- [AMBER] 2-step vs 3-step TI, and softcores question Jodi Hadden (Tue Jun 23 2009 - 17:00:02 CDT)
- [AMBER] How to build amide bond etween two protein chains journal.update (Tue Jun 23 2009 - 23:36:07 CDT)
- [AMBER] error in tleap of AMBER 10 kureeckal ramesh (Wed Jun 24 2009 - 00:03:55 CDT)
- [AMBER] Problems using nmode in NAB E.M. (Wed Jun 24 2009 - 01:05:50 CDT)
- [AMBER] calculating the hydrogen bonding energy between the two molecule bharat lakhani (Wed Jun 24 2009 - 04:19:01 CDT)
- [AMBER] Trying to patch amber 9 Jack Shultz (Wed Jun 24 2009 - 08:24:40 CDT)
- [AMBER] Half charge reported during NN ? Marek Maly (Wed Jun 24 2009 - 11:33:54 CDT)
- [AMBER] problem with parametrization janzso_at_brc.hu (Wed Jun 24 2009 - 13:24:45 CDT)
- [AMBER] Amber tools 1.2 , Bug report (PTRAJ: dumpq with strip) Myunggi Yi (Wed Jun 24 2009 - 13:57:25 CDT)
- [AMBER] NAB memory increase E.M. (Wed Jun 24 2009 - 15:12:09 CDT)
- [AMBER] setting atomic radii for GB version 7 Workalemhu Berhanu (Wed Jun 24 2009 - 22:12:55 CDT)
- [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 01:49:48 CDT)
- [AMBER] Re: question about ff FyD (Thu Jun 25 2009 - 04:12:40 CDT)
- [AMBER] ADD SALT Rilei Yu (Thu Jun 25 2009 - 04:22:20 CDT)
- AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 04:24:07 CDT)
- AW: AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 06:27:19 CDT)
- [AMBER] PCA for CA of specific resiudes Patrick Gedeon (Thu Jun 25 2009 - 06:43:20 CDT)
- AW: AW: AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 06:44:58 CDT)
- AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 07:05:10 CDT)
- [AMBER] Error when installing amber11 on OpenSuse steinbrt_at_rci.rutgers.edu (Thu Jun 25 2009 - 07:19:59 CDT)
- [AMBER] ADD SALT additional question Simon Becker (Thu Jun 25 2009 - 07:34:36 CDT)
- [AMBER] ptraj clustering with sieve- unexpected Bus Error Rachel Rice (Thu Jun 25 2009 - 10:24:25 CDT)
- Re: AW: [AMBER] atomtypes in gaff Bill Ross (Thu Jun 25 2009 - 11:42:01 CDT)
- [AMBER] Compiling and running NAB programs in parallel using MPI Kaushik Raha (Thu Jun 25 2009 - 16:36:35 CDT)
- [AMBER] Thanks Simon and Vlad! Rilei Yu (Thu Jun 25 2009 - 18:32:35 CDT)
- [AMBER] error in tleap of AMBER 10 kureeckal ramesh (Fri Jun 26 2009 - 02:10:56 CDT)
- [AMBER] Box Center Jagan Mohan (Fri Jun 26 2009 - 03:02:05 CDT)
- [AMBER] installation of RESP programm subarna thakur (Fri Jun 26 2009 - 03:52:57 CDT)
- [AMBER] Problem with radial distribution function aneesh cna (Fri Jun 26 2009 - 03:56:09 CDT)
- [AMBER] query about the charge fitting procedure about C- and N-terminal residues Ye MEI (Fri Jun 26 2009 - 04:19:47 CDT)
- [AMBER] a method or program to try to guess the net charge of a small molecule Alan (Fri Jun 26 2009 - 05:00:48 CDT)
- [AMBER] force field choice ahmed said (Fri Jun 26 2009 - 03:21:16 CDT)
- [AMBER] NAB memory E.M. (Fri Jun 26 2009 - 13:06:41 CDT)
- [AMBER] explicit solvent NMR refinement Sally Pias (Sun Jun 28 2009 - 03:46:56 CDT)
- [AMBER] Velocity rescaling and ig... Cihan Aydin (Sun Jun 28 2009 - 09:52:30 CDT)
- [AMBER] how to creat an mixture sovlent of hexane and water TaoPaul (Sun Jun 28 2009 - 10:58:19 CDT)
- [AMBER] Analysis of the solt-bridge Rilei Yu (Sun Jun 28 2009 - 17:24:28 CDT)
- [AMBER] Simulations including RNA-protein complexes... Cihan Aydin (Sun Jun 28 2009 - 17:29:10 CDT)
- [AMBER] RESP Syed Tarique Moin (Mon Jun 29 2009 - 02:42:51 CDT)
- [AMBER] Steps for NMR structure minimization Prem Prakash Pathak (Mon Jun 29 2009 - 09:09:34 CDT)
- [AMBER] steps for NMR structure minimization of protein Prem Prakash Pathak (Mon Jun 29 2009 - 09:12:40 CDT)
- [AMBER] steps for NMR structure minimization of protein Prem Prakash Pathak (Mon Jun 29 2009 - 09:13:33 CDT)
- [AMBER] problems with ptraj option IMAGE Antonija Tomić (Mon Jun 29 2009 - 09:48:54 CDT)
- [AMBER] Regd: parameter Fe4S4 KIRTANA S (Mon Jun 29 2009 - 11:11:49 CDT)
- [AMBER] Nonstandard molecules simulated with parm99EP ? Marek Maly (Mon Jun 29 2009 - 12:06:27 CDT)
- [AMBER] Fe-S topology subarna thakur (Tue Jun 30 2009 - 01:29:16 CDT)
- [AMBER] Saccharides chains termini Sergey Samsonov (Tue Jun 30 2009 - 09:32:53 CDT)
- [AMBER] Partial charges of heme Justine Shaw Condo (Tue Jun 30 2009 - 13:28:11 CDT)
- [AMBER] Fe and Mn simulations Alessandro Nascimento (Tue Jun 30 2009 - 15:22:14 CDT)
Last message date: Thu Dec 31 2009 - 22:57:46 CST
Archived on: Thu Dec 31 2009 - 22:58:33 CST
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