Amber Archive Jun 2009 by thread
- [AMBER] sleap and delete FyD (Mon Jun 01 2009 - 00:35:32 PDT)
- Re: [AMBER] Choice of force field Carlos Simmerling (Mon Jun 01 2009 - 04:14:09 PDT)
- RE: [AMBER] QQD psuedoatom restraints Titus, Jamie (bairdje) (Mon Jun 01 2009 - 04:21:19 PDT)
- [AMBER] converting vibrational frequency aneesh cna (Mon Jun 01 2009 - 04:22:01 PDT)
- [AMBER] atom number exceeds the MAXATOM when running antechamber xueqin pang (Mon Jun 01 2009 - 05:53:23 PDT)
- Re: [AMBER] MM-PBSA nmode statistics Dmitry Osolodkin (Mon Jun 01 2009 - 06:12:15 PDT)
- [AMBER] different comformations to choose for RESP xueqin pang (Mon Jun 01 2009 - 06:47:30 PDT)
- Re: [AMBER] makeDIST_RST: no map function for ambiguous restraint Peter Varnai (Mon Jun 01 2009 - 12:49:36 PDT)
- Re: [AMBER] ask for parm99MOD Carlos Simmerling (Mon Jun 01 2009 - 13:12:47 PDT)
- [AMBER] minimization to reduce covalent deviation Peter Varnai (Mon Jun 01 2009 - 13:25:07 PDT)
- [AMBER] how to choose different comformations for RESP xueqin pang (Mon Jun 01 2009 - 17:32:51 PDT)
- [AMBER] MMPBSA and mm_pbsa_statistics.pl error john smith (Mon Jun 01 2009 - 22:38:54 PDT)
- [AMBER] how to add ions bharat lakhani (Tue Jun 02 2009 - 00:25:46 PDT)
- [AMBER] Atom names Rose Tamil (Tue Jun 02 2009 - 03:53:50 PDT)
- [AMBER] help with parameters for ions rebeca (Tue Jun 02 2009 - 05:46:14 PDT)
- [AMBER] Error in MM PBSA Vikas Sharma (Tue Jun 02 2009 - 06:42:16 PDT)
- Re: [AMBER] J coupling constant calculation Gustavo Seabra (Tue Jun 02 2009 - 07:18:08 PDT)
- Re: [AMBER] Targeted MD and QM/MM Gustavo Seabra (Tue Jun 02 2009 - 07:43:35 PDT)
- Re: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy Gustavo Seabra (Tue Jun 02 2009 - 07:53:19 PDT)
- Re: [AMBER] Choice of force feild Gustavo Seabra (Tue Jun 02 2009 - 07:58:11 PDT)
- Re: [AMBER] create a simulation box Gustavo Seabra (Tue Jun 02 2009 - 08:08:46 PDT)
- Fwd: Re: [AMBER] help with parameters for ions rebeca (Tue Jun 02 2009 - 11:33:41 PDT)
- Re: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy Marc Baaden (Tue Jun 02 2009 - 13:56:29 PDT)
- [AMBER] PARMSCAN alegil.fq.uh.cu (Tue Jun 02 2009 - 15:26:42 PDT)
- [AMBER] PARMSCAN alegil.fq.uh.cu (Tue Jun 02 2009 - 15:41:54 PDT)
- [AMBER] preparation of two solutes of organic molecules in a simulation box Workalemhu Berhanu (Tue Jun 02 2009 - 16:09:04 PDT)
- [AMBER] addions Shubhra Gupta (Tue Jun 02 2009 - 22:47:11 PDT)
- [AMBER] Distance restraints between groups of atoms Germain Vallverdu (Tue Jun 02 2009 - 23:58:57 PDT)
- [AMBER] use of random seed in multiple runs Andrew Voronkov (Wed Jun 03 2009 - 02:28:52 PDT)
- [AMBER] only ff94 and ff99 for GBSA? Andrew Voronkov (Wed Jun 03 2009 - 03:28:15 PDT)
- [AMBER] NO output when running espgen? xueqin pang (Wed Jun 03 2009 - 06:13:06 PDT)
- [AMBER] Pentavalent Phosphorous and Antechamber Peterson, Matthew W. (Wed Jun 03 2009 - 07:12:44 PDT)
- [AMBER] spc.itp for the Amber force field rebeca (Wed Jun 03 2009 - 07:46:46 PDT)
- [AMBER] problems with EP of TIP4PEW rebeca (Wed Jun 03 2009 - 08:43:58 PDT)
- Re: [AMBER] hbond_DNAtraj Jianyin Shao (Wed Jun 03 2009 - 09:52:41 PDT)
- [AMBER] creating bond Jorgen Simonsen (Wed Jun 03 2009 - 10:04:11 PDT)
- [AMBER] ptraj image in non-orthorhombic cell Joanna Panecka (Wed Jun 03 2009 - 13:19:52 PDT)
- [AMBER] no output when running Antechamber(espgen) xueqin pang (Wed Jun 03 2009 - 23:02:32 PDT)
- [AMBER] how to add water for membrane, in Z direction only or xyz xueqin pang (Thu Jun 04 2009 - 01:13:07 PDT)
- [AMBER] Binding Energy Vikas Sharma (Thu Jun 04 2009 - 04:25:01 PDT)
- Re: [AMBER] ligand QM/semi-empirical coords optmisation Alan (Thu Jun 04 2009 - 07:19:28 PDT)
- [AMBER] Error in MM PBSA Vikas Sharma (Thu Jun 04 2009 - 07:58:43 PDT)
- [AMBER] mol2 file to amber pdb file format balaji nagarajan (Thu Jun 04 2009 - 09:32:06 PDT)
- [AMBER] rescaling velocities abi ghanem (Thu Jun 04 2009 - 09:39:02 PDT)
- [AMBER] ptraj_hbond_problem balaji nagarajan (Thu Jun 04 2009 - 15:08:24 PDT)
- [AMBER] Warning: No sp2 improper torsion term for Alan (Fri Jun 05 2009 - 05:26:55 PDT)
- [AMBER] parameter for dihedral angle Jorgen Simonsen (Fri Jun 05 2009 - 08:16:56 PDT)
- [AMBER] Proper ISTRNG value ? Marek Maly (Fri Jun 05 2009 - 09:24:58 PDT)
- [AMBER] Computational Alanine Scanning using mm_pbsa, any tutorial for amber9 or amber 10 version? Haizhen Zhong (Fri Jun 05 2009 - 16:17:01 PDT)
- [AMBER] average torsional energy Francesco Pietra (Sat Jun 06 2009 - 09:57:49 PDT)
- [AMBER] MaxRad ? Marek Maly (Sat Jun 06 2009 - 13:56:44 PDT)
- [AMBER] POL3 Hemant Kumar (Sun Jun 07 2009 - 11:27:29 PDT)
- [AMBER] vs_vikassharma.yahoo.co.in has sent you a private message Vikas S (Sun Jun 07 2009 - 12:28:03 PDT)
- [AMBER] Max filename length in Sander? Paul Mortenson (Mon Jun 08 2009 - 03:59:52 PDT)
- [AMBER] (no subject) Vishal Maingi (Mon Jun 08 2009 - 04:14:22 PDT)
- [AMBER] Lost mail Robert Duke (Mon Jun 08 2009 - 04:58:02 PDT)
- [AMBER] problem with creation of prmtop and prmcrd files moitrayee.mbu.iisc.ernet.in (Mon Jun 08 2009 - 06:00:18 PDT)
- [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files] moitrayee.mbu.iisc.ernet.in (Mon Jun 08 2009 - 07:28:14 PDT)
- [AMBER] sander error Beale, John (Mon Jun 08 2009 - 07:43:24 PDT)
- [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files]] moitrayee.mbu.iisc.ernet.in (Mon Jun 08 2009 - 07:30:21 PDT)
- [AMBER] Unknown residue: MOL number: 30 type: Terminal/last Workalemhu Berhanu (Mon Jun 08 2009 - 11:30:43 PDT)
- [AMBER] mm_pbsa_statistics-CALC DELTA parameter ? Marek Maly (Mon Jun 08 2009 - 12:16:19 PDT)
- [AMBER] Strange contacts with water molecules Jordan MONNET (Mon Jun 08 2009 - 14:39:26 PDT)
- [AMBER] Error in MM PBSA (vertex atom mismatch) Vikas Sharma (Mon Jun 08 2009 - 23:33:38 PDT)
- [AMBER] ptraj quasiharmonic analysis Neha Gandhi (Mon Jun 08 2009 - 23:38:01 PDT)
- [AMBER] (no subject) david.lisgarten.canterbury.ac.uk (Tue Jun 09 2009 - 03:23:57 PDT)
- [AMBER] SOS - too high binding energy Marek Maly (Tue Jun 09 2009 - 03:49:43 PDT)
- [AMBER] unit of charge in prep files moitrayee.mbu.iisc.ernet.in (Tue Jun 09 2009 - 04:35:51 PDT)
- [AMBER] Question of about MM-PBSA and mm_pbsa_createinput.pm script Samuel Genheden (Tue Jun 09 2009 - 05:43:19 PDT)
- [AMBER] Vertex atom mismatch in Amber Vikas Sharma (Tue Jun 09 2009 - 06:41:33 PDT)
- [AMBER] DNA as well as protein distorted during MD run in sander Jayalakshmi Sridhar (Tue Jun 09 2009 - 07:30:39 PDT)
- [AMBER] Improper dihedrals between residues? Ben Roberts (Tue Jun 09 2009 - 09:11:15 PDT)
- Re: [AMBER] Improper dihedrals between residues? Bill Ross (Tue Jun 09 2009 - 12:04:02 PDT)
- [AMBER] POL3 & SHAKE Hemant Gangwar (Tue Jun 09 2009 - 13:53:27 PDT)
- [AMBER] MM PBSA ( Vertex atom mismatch in Amber) Vikas Sharma (Tue Jun 09 2009 - 20:28:22 PDT)
- [AMBER] unit of force constant aneesh cna (Tue Jun 09 2009 - 22:06:50 PDT)
- [AMBER] GAFF and solvents.lib error Vishal Maingi (Wed Jun 10 2009 - 03:25:38 PDT)
- [AMBER] Thermodynamic parameters in mm_PBSA - NAB ? Marek Maly (Wed Jun 10 2009 - 03:33:59 PDT)
- [AMBER] partial charges from AM1-BCC and RESP differ a lot xueqin pang (Wed Jun 10 2009 - 05:39:31 PDT)
- [AMBER] force.f routine Brad Dickson (Wed Jun 10 2009 - 05:56:39 PDT)
- [AMBER] Completed installation of AmberTools, version 1.1 Alan (Wed Jun 10 2009 - 06:13:37 PDT)
- [AMBER] Error in AMBER ( Vertex atom mismatch in Amber) Vikas Sharma (Wed Jun 10 2009 - 06:14:28 PDT)
- [AMBER] question lev kantorovich (Wed Jun 10 2009 - 07:20:08 PDT)
- [AMBER] compiling amber10 with mac intel, ifort/icc and mpi Alan (Wed Jun 10 2009 - 07:47:00 PDT)
- [AMBER] RNA and polarizable force field Abhishek Singh (Wed Jun 10 2009 - 08:30:29 PDT)
- [AMBER] glycopeptide Parametrization guardiani.fi.infn.it (Wed Jun 10 2009 - 08:41:14 PDT)
- [AMBER] GAFF atom type question Cen Gao (Wed Jun 10 2009 - 08:49:00 PDT)
- [AMBER] entangle-less building Vishal Maingi (Wed Jun 10 2009 - 10:52:51 PDT)
- [AMBER] Generating LeAP file for helix containing non-standard amino acid Brothers, Michael Charles (Wed Jun 10 2009 - 11:26:32 PDT)
- [AMBER] input coordinates for vdW transition step in Amber 10 TI Jodi Hadden (Wed Jun 10 2009 - 13:27:16 PDT)
- Re: [AMBER] entangle-less building Bill Ross (Wed Jun 10 2009 - 15:38:31 PDT)
- [AMBER] Vertex atom mismatch in Amber Vikas Sharma (Wed Jun 10 2009 - 20:29:57 PDT)
- [AMBER] zinc coordination of benzimidazole Aust, Susanne (Thu Jun 11 2009 - 00:09:59 PDT)
- [AMBER] NOE Beale, John (Thu Jun 11 2009 - 05:30:36 PDT)
- [AMBER] GAFF atom type question Cen Gao (Thu Jun 11 2009 - 06:36:52 PDT)
- [AMBER] Copper semiempirical parameters Jacopo Sgrignani (Thu Jun 11 2009 - 06:49:50 PDT)
- [AMBER] PRINCIPAL QUESTION Marek Maly (Thu Jun 11 2009 - 08:41:42 PDT)
- [AMBER] setBox truncated octahedron Myunggi Yi (Thu Jun 11 2009 - 10:27:26 PDT)
- AW: [AMBER] zinc coordination of benzimidazole Aust, Susanne (Thu Jun 11 2009 - 23:13:19 PDT)
- [AMBER] MM PBSA ERROR Vikas Sharma (Fri Jun 12 2009 - 07:04:25 PDT)
- [AMBER] Residues KIRTANA S (Fri Jun 12 2009 - 07:10:39 PDT)
- [AMBER] help KIRTANA S (Fri Jun 12 2009 - 06:42:04 PDT)
- [AMBER] dipole printing Hemant Kumar (Fri Jun 12 2009 - 08:58:29 PDT)
- [AMBER] AMBER ERROR Vikas Sharma (Sat Jun 13 2009 - 00:16:52 PDT)
- [AMBER] Re: [Contact q4md] qurey reagarding RED Server FyD (Sat Jun 13 2009 - 01:08:26 PDT)
- [AMBER] too high in binding energy (MM-PBSA) Maryam Hamzehee (Sat Jun 13 2009 - 02:53:43 PDT)
- [AMBER] PLEASE HELP - PDB Modification s_bill36.yahoo.co.uk (Sun Jun 14 2009 - 10:29:31 PDT)
- [AMBER] parallel error 廖青华 (Mon Jun 15 2009 - 00:31:27 PDT)
- [AMBER] covalent interaction 廖青华 (Mon Jun 15 2009 - 01:06:52 PDT)
- [AMBER] total charge for NPRO in ff03ua Edyta Malolepsza (Mon Jun 15 2009 - 03:09:35 PDT)
- [AMBER] to unsubscribe email Urszula Uciechowska (Mon Jun 15 2009 - 05:59:46 PDT)
- [AMBER] Antechamber am1bcc questions gilbert.bluemarble.net (Mon Jun 15 2009 - 06:04:19 PDT)
- [AMBER] to check basepair in ptraj balaji nagarajan (Mon Jun 15 2009 - 07:23:28 PDT)
- [AMBER] Histidine, which form? s_bill36.yahoo.co.uk (Mon Jun 15 2009 - 07:54:05 PDT)
- [AMBER] pKa data base.... s. Bill (Mon Jun 15 2009 - 09:01:14 PDT)
- [AMBER] Need help with nab code to access the m_prm struct in a molecule M. L. Dodson (Mon Jun 15 2009 - 12:49:02 PDT)
- [AMBER] Re: connect KIRTANA S (Mon Jun 15 2009 - 13:18:54 PDT)
- Re: [AMBER] Re: connect Bill Ross (Mon Jun 15 2009 - 13:39:32 PDT)
- [AMBER] problem in pressure equillibration wong105.llnl.gov (Mon Jun 15 2009 - 23:18:22 PDT)
- [AMBER] Fix the local structure as a rigid body Yunjie Zhao (Tue Jun 16 2009 - 06:11:43 PDT)
- [AMBER] Sander imin=5 option Paul Mortenson (Tue Jun 16 2009 - 07:46:37 PDT)
- [AMBER] MM decomp energy - zero values for Eele, Evdw Thomas Lake (Tue Jun 16 2009 - 08:36:50 PDT)
- [AMBER] connecting residues KIRTANA S (Tue Jun 16 2009 - 08:59:37 PDT)
- Re: [AMBER] Distance-covariance and PCA questions... Bill Ross (Tue Jun 16 2009 - 09:18:40 PDT)
- Re: [AMBER] connecting residues Bill Ross (Tue Jun 16 2009 - 09:37:33 PDT)
- [AMBER] Seg-fault when creating residue Valla Fatemi (Tue Jun 16 2009 - 18:28:43 PDT)
- [AMBER] improper torsion problem Youn Kyeung Lee (Tue Jun 16 2009 - 19:36:14 PDT)
- [AMBER] GLYCAM: warnings by writing topology Sergey Samsonov (Tue Jun 16 2009 - 23:38:56 PDT)
- [AMBER] How to calculate SASA in vmd Mannan (Tue Jun 16 2009 - 23:40:05 PDT)
- Re: [AMBER] improper torsion problem Bill Ross (Wed Jun 17 2009 - 00:47:12 PDT)
- Re: [AMBER] Seg-fault when creating residue Bill Ross (Wed Jun 17 2009 - 00:51:02 PDT)
- [AMBER] vlimit in TI with soft core potential Ye MEI (Wed Jun 17 2009 - 01:20:31 PDT)
- [AMBER] Antechamber: stuck at bondtype Jack Shultz (Wed Jun 17 2009 - 05:50:11 PDT)
- [AMBER] bond length energy Thomas Lake (Wed Jun 17 2009 - 07:04:55 PDT)
- [AMBER] Specifying improper dihedrals Ben Roberts (Wed Jun 17 2009 - 08:24:14 PDT)
- [AMBER] Coarse grained MD in AMBER ? Siddharth Rastogi (Wed Jun 17 2009 - 11:50:13 PDT)
- [AMBER] where to I get the parameters for Mg divalent ion Mannan (Wed Jun 17 2009 - 21:11:19 PDT)
- [AMBER] force units Brad Dickson (Thu Jun 18 2009 - 00:14:31 PDT)
- [AMBER] Improper dihedrals from .off and .lib files Johan Sund (Thu Jun 18 2009 - 03:15:37 PDT)
- [AMBER] guntheyp.aston.ac.uk (Thu Jun 18 2009 - 04:48:21 PDT)
- [AMBER] how to create prmtop and inpcrd files for covalent neutral phenylalanine Madhurima Jana (Thu Jun 18 2009 - 05:39:03 PDT)
- [AMBER] Sulfates parameterization for GAGs in GLYCAM_06 Sergey Samsonov (Thu Jun 18 2009 - 06:07:17 PDT)
- [AMBER] Dyndom Chunliyan (Thu Jun 18 2009 - 08:12:44 PDT)
- [AMBER] Fix Residue continued... Vishal Maingi (Thu Jun 18 2009 - 11:48:03 PDT)
- [AMBER] residue KIRTANA S (Thu Jun 18 2009 - 12:59:50 PDT)
- [AMBER] Re: R.E.D. error message FyD (Thu Jun 18 2009 - 13:13:41 PDT)
- [AMBER] Postdoc position in biomolecular simulation Ivaylo, Ivanov (Thu Jun 18 2009 - 16:26:05 PDT)
- [AMBER] From DLG to Antechamber Jack Shultz (Thu Jun 18 2009 - 17:04:15 PDT)
- [AMBER] Force field parameter for Unionized Phenylalanine HOOC-CH(NH2)-CH2-C6H5 Madhurima Jana (Thu Jun 18 2009 - 23:40:43 PDT)
- [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 00:14:50 PDT)
- AW: [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 04:51:21 PDT)
- [AMBER] methyl group at the N-terminal Francesca Poletti (Fri Jun 19 2009 - 05:03:56 PDT)
- AW: [AMBER] 2 restraints with different force constants Aust, Susanne (Fri Jun 19 2009 - 05:39:34 PDT)
- [AMBER] Re: residue KIRTANA S (Fri Jun 19 2009 - 08:03:31 PDT)
- [AMBER] RED Geometry Calculation Error Brothers, Michael Charles (Fri Jun 19 2009 - 11:52:37 PDT)
- [AMBER] atom type no recognize - xleap version 10 but fine in v 9 Peter Gannett (Fri Jun 19 2009 - 12:40:47 PDT)
- [AMBER] PMEMD compilation manoj singh (Fri Jun 19 2009 - 15:49:31 PDT)
- [AMBER] Hard limit in Amber10? Yang, Ping (Fri Jun 19 2009 - 17:21:14 PDT)
- R: [AMBER] Amber10 Parallel Installation sgrignani.cerm.unifi.it (Sat Jun 20 2009 - 13:14:38 PDT)
- Re: [AMBER] Amber10 Parallel Installation case (Sat Jun 20 2009 - 15:04:14 PDT)
- [AMBER] Your private message from Vikas is about to expire Vikas S (Sat Jun 20 2009 - 23:41:57 PDT)
- [AMBER] Reference Correction Mahmoud A. A. Ibrahim (Sun Jun 21 2009 - 13:11:34 PDT)
- [AMBER] reclaiming space from amber10 installation Alan (Sun Jun 21 2009 - 15:04:53 PDT)
- [AMBER] parameters Fe4S4 cluster KIRTANA S (Sun Jun 21 2009 - 19:30:08 PDT)
- [AMBER] Atom Type List Javier Klett (Mon Jun 22 2009 - 02:54:43 PDT)
- [AMBER] About the Amber tutorial Aurum Bai (Mon Jun 22 2009 - 03:03:49 PDT)
- [AMBER] About the "FATAL: Atom err!" Aurum Bai (Mon Jun 22 2009 - 03:12:23 PDT)
- [AMBER] About the "FATAL: Atom err"! Aurum Bai (Mon Jun 22 2009 - 03:14:20 PDT)
- [AMBER] Error on equilibriation of Amber10 Masakazu SEKIJIMA (Mon Jun 22 2009 - 03:59:55 PDT)
- [AMBER] max atoms for antechamber Alan (Mon Jun 22 2009 - 05:37:39 PDT)
- [AMBER] making leap to recognize 5' phosphate Bala subramanian (Mon Jun 22 2009 - 06:45:43 PDT)
- [AMBER] Re: Regd: Fe4S4 case (Mon Jun 22 2009 - 11:39:57 PDT)
- RE: [Subject Filtered] Re: [AMBER] Amber10 Parallel Installation 8% Hopkins, Robert (Mon Jun 22 2009 - 12:54:17 PDT)
- [AMBER] bad atom type: MN Edward M (Mon Jun 22 2009 - 16:10:54 PDT)
- [AMBER] bad atom type: MN Edward M (Mon Jun 22 2009 - 16:12:09 PDT)
- [AMBER] AMBER question: bad atom type: MN Edward M (Mon Jun 22 2009 - 20:05:51 PDT)
- [AMBER] REMD Shaikh Abdul R S Ramaju (Mon Jun 22 2009 - 22:32:34 PDT)
- [AMBER] guessing the charge of a small molecule Alan (Tue Jun 23 2009 - 01:06:51 PDT)
- [AMBER] Compiling amber 9 with openMPI Myunggi Yi (Tue Jun 23 2009 - 06:31:58 PDT)
- [AMBER] net charge Vishal Maingi (Tue Jun 23 2009 - 07:19:51 PDT)
- [AMBER] SANDER BOMB in subroutine nonbond_list Siddharth Rastogi (Tue Jun 23 2009 - 09:39:58 PDT)
- Re: [AMBER] SANDER BOMB in subroutine nonbond_list Bill Ross (Tue Jun 23 2009 - 09:54:30 PDT)
- [AMBER] re: net charge Vishal Maingi (Tue Jun 23 2009 - 11:56:52 PDT)
- [AMBER] "loadoff tRNA.lib" in Leap Ju Zhang (Tue Jun 23 2009 - 13:55:25 PDT)
- [AMBER] 2-step vs 3-step TI, and softcores question Jodi Hadden (Tue Jun 23 2009 - 15:00:02 PDT)
- [AMBER] How to build amide bond etween two protein chains journal.update (Tue Jun 23 2009 - 21:36:07 PDT)
- [AMBER] error in tleap of AMBER 10 kureeckal ramesh (Tue Jun 23 2009 - 22:03:55 PDT)
- [AMBER] Problems using nmode in NAB E.M. (Tue Jun 23 2009 - 23:05:50 PDT)
- [AMBER] calculating the hydrogen bonding energy between the two molecule bharat lakhani (Wed Jun 24 2009 - 02:19:01 PDT)
- [AMBER] Trying to patch amber 9 Jack Shultz (Wed Jun 24 2009 - 06:24:40 PDT)
- [AMBER] Half charge reported during NN ? Marek Maly (Wed Jun 24 2009 - 09:33:54 PDT)
- [AMBER] problem with parametrization janzso.brc.hu (Wed Jun 24 2009 - 11:24:45 PDT)
- [AMBER] Amber tools 1.2 , Bug report (PTRAJ: dumpq with strip) Myunggi Yi (Wed Jun 24 2009 - 11:57:25 PDT)
- [AMBER] NAB memory increase E.M. (Wed Jun 24 2009 - 13:12:09 PDT)
- [AMBER] setting atomic radii for GB version 7 Workalemhu Berhanu (Wed Jun 24 2009 - 20:12:55 PDT)
- Re: [AMBER] atomtypes in gaff FyD (Thu Jun 25 2009 - 01:55:03 PDT)
- [AMBER] Re: question about ff FyD (Thu Jun 25 2009 - 02:12:40 PDT)
- [AMBER] ADD SALT Rilei Yu (Thu Jun 25 2009 - 02:22:20 PDT)
- AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 02:24:07 PDT)
- AW: AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 04:27:19 PDT)
- [AMBER] PCA for CA of specific resiudes Patrick Gedeon (Thu Jun 25 2009 - 04:43:20 PDT)
- AW: AW: AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 04:44:58 PDT)
- AW: [AMBER] atomtypes in gaff Aust, Susanne (Thu Jun 25 2009 - 05:05:10 PDT)
- [AMBER] Error when installing amber11 on OpenSuse steinbrt.rci.rutgers.edu (Thu Jun 25 2009 - 05:19:59 PDT)
- [AMBER] ADD SALT additional question Simon Becker (Thu Jun 25 2009 - 05:34:36 PDT)
- [AMBER] ptraj clustering with sieve- unexpected Bus Error Rachel Rice (Thu Jun 25 2009 - 08:24:25 PDT)
- Re: AW: [AMBER] atomtypes in gaff Bill Ross (Thu Jun 25 2009 - 09:42:01 PDT)
- [AMBER] Compiling and running NAB programs in parallel using MPI Kaushik Raha (Thu Jun 25 2009 - 14:36:35 PDT)
- [AMBER] Thanks Simon and Vlad! Rilei Yu (Thu Jun 25 2009 - 16:32:35 PDT)
- [AMBER] error in tleap of AMBER 10 kureeckal ramesh (Fri Jun 26 2009 - 00:10:56 PDT)
- [AMBER] Box Center Jagan Mohan (Fri Jun 26 2009 - 01:02:05 PDT)
- [AMBER] installation of RESP programm subarna thakur (Fri Jun 26 2009 - 01:52:57 PDT)
- [AMBER] Problem with radial distribution function aneesh cna (Fri Jun 26 2009 - 01:56:09 PDT)
- [AMBER] query about the charge fitting procedure about C- and N-terminal residues Ye MEI (Fri Jun 26 2009 - 02:19:47 PDT)
- [AMBER] a method or program to try to guess the net charge of a small molecule Alan (Fri Jun 26 2009 - 03:00:48 PDT)
- [AMBER] force field choice ahmed said (Fri Jun 26 2009 - 01:21:16 PDT)
- [AMBER] NAB memory E.M. (Fri Jun 26 2009 - 11:06:41 PDT)
- Re: [AMBER] how to know that adequate equilibration from rmsd curve of equilibration Cihan Aydin (Sat Jun 27 2009 - 07:29:21 PDT)
- [AMBER] explicit solvent NMR refinement Sally Pias (Sun Jun 28 2009 - 01:46:56 PDT)
- [AMBER] Velocity rescaling and ig... Cihan Aydin (Sun Jun 28 2009 - 07:52:30 PDT)
- [AMBER] how to creat an mixture sovlent of hexane and water TaoPaul (Sun Jun 28 2009 - 08:58:19 PDT)
- [AMBER] Analysis of the solt-bridge Rilei Yu (Sun Jun 28 2009 - 15:24:28 PDT)
- [AMBER] Simulations including RNA-protein complexes... Cihan Aydin (Sun Jun 28 2009 - 15:29:10 PDT)
- [AMBER] RESP Syed Tarique Moin (Mon Jun 29 2009 - 00:42:51 PDT)
- [AMBER] Steps for NMR structure minimization Prem Prakash Pathak (Mon Jun 29 2009 - 07:09:34 PDT)
- [AMBER] steps for NMR structure minimization of protein Prem Prakash Pathak (Mon Jun 29 2009 - 07:12:40 PDT)
- [AMBER] steps for NMR structure minimization of protein Prem Prakash Pathak (Mon Jun 29 2009 - 07:13:33 PDT)
- [AMBER] problems with ptraj option IMAGE Antonija Tomić (Mon Jun 29 2009 - 07:48:54 PDT)
- [AMBER] Regd: parameter Fe4S4 KIRTANA S (Mon Jun 29 2009 - 09:11:49 PDT)
- [AMBER] Nonstandard molecules simulated with parm99EP ? Marek Maly (Mon Jun 29 2009 - 10:06:27 PDT)
- [AMBER] Fe-S topology subarna thakur (Mon Jun 29 2009 - 23:29:16 PDT)
- [AMBER] Saccharides chains termini Sergey Samsonov (Tue Jun 30 2009 - 07:32:53 PDT)
- [AMBER] Partial charges of heme Justine Shaw Condo (Tue Jun 30 2009 - 11:28:11 PDT)
- [AMBER] Fe and Mn simulations Alessandro Nascimento (Tue Jun 30 2009 - 13:22:14 PDT)
- Last message date: Mon Jul 06 2009 - 12:23:12 PDT
- Archived on: Sun Dec 08 2024 - 05:53:55 PST