Amber Archive Oct 2000 by date

119 messages: Starting Mon Oct 02 2000 - 09:10:45 PDT, Ending Tue Oct 31 2000 - 13:41:44 PST
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Monday, 2 October 2000
- xleap Marcela Madrid
- Ewald Bomb Luis Gracia
- docking Michal Otyepka
- SGI_MP and sander 6 Jarrod Smith
Tuesday, 3 October 2000
- Re: SGI_MP and sander 6 Nathalie Godbout
- Organic solvents with Leap Jose Ramon Blas
Wednesday, 4 October 2000
- [Fwd: Re: SGI_MP and sander 6] input files Nathalie Godbout
- Re: xleap schayg_at_puskin-a206.sote.hu
- CATFEE Announcement CATFEE
Thursday, 5 October 2000
- Re: docking Andreas Svrcek-Seiler
- Re: Sander error in AMBER5 jim caldwell
- OWFEG documentation Craig A Marhefka
- AMBER forcefield and thioglycosides Neil Whittemore
Friday, 6 October 2000
- Sander error in AMBER5 Bhupesh Taneja
- AmberFFC 1.0 Fran�ois Yves Dupradeau
- Compiler Bug? Kouji Hayama
- Fwd: question about sensitivity of DNA free energy simulations Marcela Madrid
- Amber6 on SGI with IRIX6.5 Grzegorz Jezierski
- Re: input error? jim caldwell
- input error? Troy Bothwell
- installing AMBER on Linux Prem Raj Joseph
- Sander error solved Bhupesh Taneja
Saturday, 7 October 2000
- Re: Amber6 on SGI with IRIX6.5 Nelson Brito
- AMBER on Linux- prob' solved----- thanks Prem Raj Joseph
Sunday, 8 October 2000
- saveamberparm problem of new molecule Mao Xiang
- NSER Mao Xiang
- INTPRT Craig A Marhefka
- Re: INTPRT David Pearlman
- Error in minimization and MD... Mausumi Mazumdar
Monday, 9 October 2000
- compiling AMBER on IBM 44P Paolo Dapporto
- compile on linux RH 6.2 Pascal Bonnet
- Re: compiling AMBER on IBM 44P David Konerding
- LGFIL and other outputs for OWFEG calcs Craig A Marhefka
- periodic boundary conditions Pascal Bonnet
- LGFIL and other outputs for OWFEG calcs Craig A Marhefka
- information on troubleshooting in Amber amit kumar
Tuesday, 10 October 2000
- compilation of Amber6 on IBM SP3 Giulio Rastelli
- (no subject) Christian Pilger
- CYM residue Jennifer Ludington
- gibbs output Marcela Madrid
- Re: gibbs output jim caldwell
Wednesday, 11 October 2000
- namelist Eoin Galligan
- MD namelist error with new Sander Michael Cooney
- Re: compile on linux RH 6.2 Andreas Svrcek-Seiler
Thursday, 12 October 2000
- Re: installing AMBER on Linux schayg_at_puskin-a206.sote.hu
- Re: your mail schayg_at_puskin-a206.sote.hu
- HBOND analysis after CARNAL samantha hughes
- LGFIL and other outputs for OWFEG calcs Craig Marhefka
- Field delegate for MidasPlus Craig Marhefka
- Cysteine with negative charge Jennifer Ludington
- improper density in constant pressure md Scott A. Showalter
- amber6 Scott E. Boesch
- Re: amber6 jim caldwell
Friday, 13 October 2000
- correlation matrix Michal Otyepka
- Free Energy Calculation with Potential of Mean Force Nori
- Re: amber6 on HP N-4000 Complex Scott Boesch
- water density around the molecule Shixiang Yan
- water density around the molecule Shixiang Yan
Sunday, 15 October 2000
- showing density map? Jianxin Guo
- showing density map? Jianxin Guo
- Re: showing density map? Bill Ross
- Re: showing density map? Bill Ross
Monday, 16 October 2000
- (no subject) Christian Pilger
- (no subject) Christian Pilger
Tuesday, 17 October 2000
- Forwarded mail.... Christian Pilger
- Linux Giulio Rastelli
Thursday, 19 October 2000
- :trouble shooting in amber amit kumar
Friday, 20 October 2000
- sander test /Amber6 Giulio Rastelli
- Parm98 parameters Simon Cross
- Re: sander test /Amber6 Nathalie Godbout
- missing parameters Jie Lu
- Re: missing parameters Jie Lu
- shared memory sander Shixiang Yan
- self diffusion of water at equilibrium T=300K P=1atm gail louise dempsey
Monday, 23 October 2000
- calculation time Andrew Aird
- Z-dna J. Bryan Buckalew
- Re: Plotting Hbond info from Carnal samantha hughes
- Adding metal parameter kiyean.nam_at_pharma.Novartis.com
Tuesday, 24 October 2000
- carnal Eoin Galligan
- Cl and NO2 Oscar Rey
- addition to prev. mail Eoin Galligan
- Xtal Waters and SolvateBox Javier De Las Rivas
- Re: Adding metal parameter Michael Cooney
- How to M'Halla Jalel
- Re: How to Bill Ross
- Re: Xtal Waters and SolvateBox Bill Ross
- sander on sgi O2/R5k--workaround Nathalie Godbout
- ntwxm,ntwvm,ntwem gail louise dempsey
- (no subject) gail louise dempsey
- ENTER to WIN a beautiful 1969 Z/28 Camaro for $1.00 Shannon
Wednesday, 25 October 2000
- MM_GBSA and DNA methylation Sylvie Derreumaux
- gibbs ile->val energies Steve Edmondson
- min error Eoin Galligan
- Re: min error jim caldwell
- Re: missing parameters Jie Lu
Thursday, 26 October 2000
- nonbonded pairlist update Andrew Aird
- LGFIL and other outputs for OWFEG calcs Craig Marhefka
- Sander_classic to Sander switch Michael Cooney
- Re: nonbonded pairlist update Andrew Aird
Friday, 27 October 2000
- information d'Alessio, Paola
Monday, 30 October 2000
- (no subject) Alessandra Ricca
- A problem with "inhomogeneous' Wen Li
- sodium_gibbs_pme test Marcela Madrid
- Protein-Protein docking Sam Andersen
- Re: Xtal Waters and SolvateBox Michael Cooney
- POL3 Bill Ross
- Re: POL3 Bill Ross
- (no subject) Alessandra Ricca
- (no subject) Alessandra Ricca
Tuesday, 31 October 2000
- re: frcmod polar Bill Ross
- Re: Protein-Protein docking Simon Cross
- PME Andrew Aird
- Sander compilation problem on HP Scott Boesch
- Running tests on SP2 machine ramon kleber da rocha
- RE: PME crowley
- Re: PME David Case
- Re: Sander compilation problem on HP jim caldwell
- Re: Element Bill Ross
- (no subject) Alessandra Ricca

Last message date: Tue Oct 31 2000 - 13:41:44 PST
Archived on: Mon Feb 03 2025 - 05:53:12 PST