Amber Archive Sep 2000: by date

Friday, 1 September 2000
- question about 2DRMSd made by rdparm. Margaret Cheung
- Re: Brief courses on AMBER 6 Jarrod Smith
- Can I create a prmtop file without unwanted H atoms? Margaret Cheung
Monday, 4 September 2000
- NATOMS > 99999 for sander 6.0 Todd J. Minehardt
- last message continued Todd J. Minehardt
- ..and also getcor.f.... Todd J. Minehardt
- DFT parital charges Riccardo Nifosi
- NATOMS > 99999 David Konerding
- Gibbs / Torcon problem Terreux Raphael
- ambpdb input format Garrett W Grahek
Tuesday, 5 September 2000
- Leap problems with Zn, DNA Michael Cooney
Wednesday, 6 September 2000
- sander_pme.MC examples leila ayadi
- RAdius of Gyration Dat H. Nguyen
- Re: RAdius of Gyration Bill Ross
Thursday, 7 September 2000
- Calcium bonds schayg_at_puskin-a206.sote.hu
- partial solvation EOIN GALLIGAN
- Amber6 environment error kian kani
- Re: Amber6 environment error Thomas A. Spraggins
- Re: Calcium bonds Bill Ross
- Re: Amber6 environment error schayg_at_puskin-a206.sote.hu
Friday, 8 September 2000
- partial solvation EOIN GALLIGAN
Monday, 11 September 2000
- radius of gyration Peter Gannett
- Re: radius of gyration Bill Ross
- NAMOT J. Bryan Buckalew
- Machine file for SV1 Matthew Lee
Tuesday, 12 September 2000
- Adding divalent metal ions to libraries Michael Cooney
- Ewald bomb ? Terreux Raphael
Wednesday, 13 September 2000
- compiling problems Paolo Dapporto
- GB/SA question Andreas Svrcek-Seiler
- Re: compiling problems Todd J. Minehardt
- compile on ibm Todd J. Minehardt
- IBM SP Matthew Lee
- EWALD parameter range problem schayg_at_puskin-a206.sote.hu
- Re: EWALD parameter range problem darden
- NMODE Tuomo Laitinen
Thursday, 14 September 2000
- VRAND Craig Marhefka
- Re: NMODE Todd J. Minehardt
- Re: problem with leap Bill Ross
- problem with leap Prem Raj Joseph
Friday, 15 September 2000
- RE:pdb_MD Krishna Bisetty
- delphi Pascal Bonnet
- ANAL J. Bryan Buckalew
- C=C gail louise dempsey
- Call for Papers - ACS Symposium: "Artificial Intelligence in Computational Chemistry" Curt M. Breneman
- edit.out David Small
- Amber6/Compaq jim caldwell
Sunday, 17 September 2000
- Re: Can amber6.0 do the implicit sovation model? Vickie Tsui
Tuesday, 19 September 2000
- erfcfun.c for Alpha Yasuyuki Fujii
Wednesday, 20 September 2000
- Re: erfcfun.c for Alpha Chuck Schneider
- GB source code question samantha hughes
- Loading CRD or RST files into Leap Michael Cooney
- RE: Loading CRD or RST files into Leap Halima Amer
- Re: Loading CRD or RST files into Leap Bill Ross
Thursday, 21 September 2000
- To Cray t3e users Grzegorz Jezierski
- interaction energy Christopher Higgs
- Re: interaction energy Michal Otyepka
- about constraints Hyuk Soon Choi
- Re: interaction energy Bill Ross
Friday, 22 September 2000
- Re: DMSO parameters Gunter Wolf
- DMSO parameters Jose Ramon Blas
Saturday, 23 September 2000
- Too many atoms Mark A. Zottola
- Re: Too many atoms Bill Ross
Monday, 25 September 2000
- AMBER data file for program DOT J�rgen J. M�ller
- TIP3P water in Amber6 Michael Cooney
- Re: TIP3P water in Amber6 Bill Ross
- vdW parameter for S atom Francois Dupradeau
- AMBER data file for program DOT J�rgen J. M�ller
Tuesday, 26 September 2000
- REPEATED LINMIN FAILURE Mao Xiang
Wednesday, 27 September 2000
- excluded atoms in prmtop files Andreas Svrcek-Seiler
- Re: excluded atoms in prmtop files Bill Ross
- Re: excluded atoms in prmtop files jim caldwell
- Molecular Dynamics Problem Mark A. Zottola
- leap problem about periodic boundary box K. Watanabe.
- Re: leap problem about periodic boundary box Bill Ross
Thursday, 28 September 2000
- nmode out of memory schayg_at_puskin-a206.sote.hu
- Re: nmode out of memory David Case
- MPI gibbs Jarrod Smith
Friday, 29 September 2000
- movie file Pascal Bonnet
- repeated linmin failures Michael Cooney
- (no subject) Yanni Wang
- Re: problem with Interface script David Pearlman
- Re: movie file Bill Ross
- HEllo! Dat H. Nguyen
- Re: movie file terreux_at_taloa.unice.fr
- Re: HEllo! Bill Ross
- perturbing charge Marcela Madrid
- Re: perturbing charge Bill Ross
Saturday, 30 September 2000
- help with amber 41 on linux redhat 6.2 Margaret Cheung
- Re: HEllo! Thomas E. Cheatham, III
- automatic/semi-automatic type assignments Thomas C. Bishop
- Re: help with amber 41 on linux redhat 6.2 David Konerding

Last message date: Sat Sep 30 2000 - 18:07:53 PDT
Archived on: Fri Dec 20 2024 - 05:53:17 PST

Amber Archive Sep 2000 by date