Amber Archive Apr 2002 by date

147 messages: Starting Tue Apr 02 2002 - 10:30:41 PST, Ending Tue Apr 30 2002 - 22:15:05 PDT
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Tuesday, 2 April 2002
- does PME function without charge neutralization? Ian R Bates
- Re: does PME function without charge neutralization? darden
- (no subject) deepak rangaswamy
Wednesday, 3 April 2002
- input files Monica
- Re: input files Carlos Simmerling
- Initial Amber 7 benchmark timings David Case
Thursday, 4 April 2002
- Re: Initial Amber 7 benchmark timings St�phane Teletch�a
- amber7, PME and anisotrop press. Arvid Soederhaell
- new residues Vlad Cojocaru
- About the sander_classic calculation Alan Leo
- convergence of MD simulations Sue Heavner
- Re: About the sander_classic calculation John Bushnell
Friday, 5 April 2002
- Re: convergence of MD simulations Andreas Svrcek-Seiler
Monday, 8 April 2002
- Sander-Gibbs Kidley N J
- PDB file with CONECT record Prabal Maiti
- Re:PDB file with CONECT record Bill Ross
- Re: convergence of MD simulations darden
Tuesday, 9 April 2002
- PDB file with CONECT record (fwd) Prabal Maiti
- Re: PDB file with CONECT record (fwd) David Case
- Roar 2.1 with Amber7 Soonmin Jang
- RE: Roar 2.1 with Amber7 Ross Walker
- Re: PDB file with CONECT record Bill Ross
Wednesday, 10 April 2002
- Amber7 and VMD Soonmin Jang
- Re: Amber7 and VMD Thomas Cheatham
- (no subject) Mark Hsieh
- Matching Patterns Tali
Thursday, 11 April 2002
- DNA structure get distorted Monica
- noesy intensity input in DNA Monica
- Follow distances during MD Francois Dupradeau
- Re: Follow distances during MD Raik Grunberg
- (no subject) Mark Beardsell
- Re: your mail Andreas Svrcek-Seiler
- Save from LEaP to a PDBQ file ? jeff dyason
- Re: Save from LEaP to a PDBQ file ? Bill Ross
- Re: PDB file with CONECT record Prabal Maiti
Friday, 12 April 2002
- Thanks FyD
- Re: PDB file with CONECT record Bill Ross
- Re: PDB file with CONECT record Miguel Angel
- order parameters? Arvid Soederhaell
- Re: DNA structure get distorted David Case
- Compiling Amber7 on a Beowulf Cluster - Compiling Error Peter Gannett
- Re: Compiling Amber7 on a Beowulf Cluster - Compiling Error David Case
- help ..problem about antechamber Yi ming Cheng
Saturday, 13 April 2002
- (no subject) Carlos Simmerling
- Re: Compiling Amber7 on a Beowulf Cluster - Compiling Error Peter Gannett
Monday, 15 April 2002
- Vulgar Models Do Everything And Love It!!! telesales
- Re: Help! Sander run error: Bus error David Case
- Re: PDB file with CONECT record Prabal Maiti
Tuesday, 16 April 2002
- compiling amber 6.0 in a Sun starfire ENT10000 ramon kleber da rocha
- 4 Medicinal and Computational Chemistry Candidates medicinal and Compuatational Chemistry Resumes and Jobs
- Recalculating energies John Finke
Wednesday, 17 April 2002
- RESP charges Vlad Cojocaru
- Re: Recalculating energies Carlos Simmerling
- Amber in a distributed environment Peter Gannett
- Re: RESP charges Lepsa
- RESP charges Vlad Cojocaru
- RE: RESP charges Ross Walker
- Re: Amber in a distributed environment Sudhakar Pamidighantam
- Re: RESP charges jim caldwell
- (no subject) Lepsa
- RE: RESP charges Ross Walker
- (no subject) Filip Ryjacek
- Minimization of pentane holding a plane of carbon atoms Hungie Hungie
- again...Minimization of pentane holding a plane of carbon atoms Hungie Hungie
- mm pbsa: generate snapshots Mark Hsieh
Thursday, 18 April 2002
- Re: mm pbsa: generate snapshots Mathy Froeyen
- pentane minimization Hungie Hungie
- pentane minimization Hungie Hungie
- DNA shifts during MD; C.O.M. removing and ptraj doesn't help... Filip Ryjacek
- RESP cfrenz_at_aecom.yu.edu
- pentane minimization...again Hungie Hungie
- MPICH and AMBER 7 Mark Hsieh
Friday, 19 April 2002
- RESP-ivary Vlad Cojocaru
- To PROFEC users Salinthip Thipayang
- Re: RESP-ivary Qing Zhang
- RE: RESP-ivary John Bushnell
- amber7 compilation on a beowulf cluster Peter Gannett
- RE: amber7 compilation on a beowulf cluster John Bushnell
- RE: amber7 compilation on a beowulf cluster Bill Ross
- mm_pbsa for uhbd Mark Hsieh
- Re: amber7 compilation on a beowulf cluster David Case
- (no subject) deepak rangaswamy
Saturday, 20 April 2002
- Re: amber7 compilation on a beowulf cluster Peter Gannett
- Re: your mail David Case
- dummy atoms. Yongjun Jiang
Sunday, 21 April 2002
- leap bugfix Bill Ross
Monday, 22 April 2002
- RESP Vlad Cojocaru
- amber6 with parallel Khatcharin Siriwong
- Re: RESP jim caldwell
- a problem Vlad Cojocaru
- (no subject) SPEROLEEM_at_aol.com
Tuesday, 23 April 2002
- a more general question Vlad Cojocaru
- DME and Carnal with AMBER6 Katherine W. Abold
- RESP tutorial Michael G Cooney
- INTPRT and PMF Sophia Kondratova
- (no subject) Bill Ross
- parallel sander? Mark Hsieh
- RE: parallel sander? Mark Hsieh
- Re: INTPRT and PMF David Pearlman
- generating left-handed A-DNA Marcela Madrid
- Re: RESP tutorial David Case
- RESP on Deoxy-ADE Qing Zhang
- RESP on Deoxy-ADE Qing Zhang
- sander & prmtop file generated from antechamber input ? jeff dyason
Wednesday, 24 April 2002
- Re: sander & prmtop file generated from antechamber input ? David Case
- Re: generating left-handed A-DNA David Case
- RE: a problem John Bushnell
- Re: amber7 and tip5p David Case
- Number of WATBOX yuann
Thursday, 25 April 2002
- Re: Number of WATBOX David Smith
- PMF calculations Sophia Kondratova
- Re: PMF calculations David Smith
- About Group in Carnal William Wei
- Re: PMF calculations David Pearlman
- Re: PMF calculations David Pearlman
- sander mpich hangs Mark Hsieh
Friday, 26 April 2002
- Problems with AMBER7 and Multiple Processors on SGI servers Vincent BOSQUIER
- Re: sander mpich hangs St�phane Teletch�a
- Re: Problems with AMBER7 and Multiple Processors on SGI servers Carlos Simmerling
- Re: Problems with AMBER7 and Multiple Processors on SGI servers Ian bates
- RE: sander mpich hangs Mark Hsieh
Sunday, 28 April 2002
- max_rstack requested Albert Codony
Monday, 29 April 2002
- parmjoin Vlad Cojocaru
- Re: parmjoin David Case
- Fail message:Segmantation fault and Bus error? William Wei
- NTT=5? Jung-Hsing Lin
- TIP4P parameters Ge Zhou
- Re: TIP4P parameters David Case
- Re: NTT=5? David Case
Tuesday, 30 April 2002
- install leap not working nepenthes_at_vplaces.net
- How to run the leap module param_at_ibab.ac.in
- RE: Problems with AMBER7 and Multiple Processors on SGI servers Vincent BOSQUIER
- Re: How to run the leap module Sanjeev B.S.
- Re: your mail deepak rangaswamy
- valine to alanine example Sophia Kondratova
- heterochirical peptides ? Yuguang Mu
- Re: Problems with AMBER7 and Multiple Processors on SGI servers David Case
- Re: NTT=5? Jung-Hsing Lin
- Re: How to run the leap module John Bushnell
- Re: NTT=5? David Case
- Re: heterochirical peptides ? David Case
- Re: install leap not working Bill Ross
- NaCl concentration Peter Gannett
- Re: NTT=5? Jung-Hsing Lin
- about ew_legal.h X. Tan
- IFBOX=0 error in amber7 Eva Darian
- Re: IFBOX=0 error in amber7 Bill Ross

Last message date: Tue Apr 30 2002 - 22:15:05 PDT
Archived on: Mon Oct 14 2024 - 05:53:15 PDT