Amber Archive May 2004: by date

Friday, 30 April 2004
- Re: AMBER: Amber8 compilation error Arvind
- Re: AMBER: esp or resp for all_amino94.lib FyD
Saturday, 1 May 2004
- AMBER: problem for compiling amber7 by ifc8 scopio
- Re: AMBER: problem for compiling amber7 by ifc8 Viktor Hornak
- AMBER: Gibbs and solvent caps Sébastien Osborne
- AMBER: ptraj: radius of gyration Sichun Yang
Sunday, 2 May 2004
- Re: AMBER: ptraj: radius of gyration Scott Brozell
- AMBER: xleap problem hj zou
- Re: AMBER: ptraj: radius of gyration Bill Ross
- Re: AMBER: xleap problem David A. Case
- Re: AMBER: xleap problem Oliver Hucke
- Re: AMBER: problem for compiling amber7 by ifc8 scopio
- AMBER: nmode analysis sebnem
- Re: AMBER: problem for compiling amber7 by ifc8 scopio
Monday, 3 May 2004
- Re: Re: AMBER: xleap problem hj zou
- Re: AMBER: Gibbs and solvent caps Miguel de Federico
- Re: AMBER: xleap problem scopio
- AMBER: any program or tool Helios Chen
- Re: AMBER: any program or tool Andreas Svrcek-Seiler
- Re: AMBER: any program or tool Viktor Hornak
- Re: Re: AMBER: xleap problem David A. Case
- Re: AMBER: nmode analysis David A. Case
- Re: AMBER: nmode analysis sebnem.mercury.chem.pitt.edu
- Re: AMBER: nmode analysis David A. Case
- AMBER: some bugfixes David A. Case
- Re: AMBER: some bugfixes Sébastien Osborne
- AMBER: resp demo files Kristy Mardis
- Re: AMBER: resp demo files FyD
- AMBER: why delete water molecule Helios Chen
- AMBER: separate the longitudinal and transverse vibrations frequencies xiaowei li
Tuesday, 4 May 2004
- AMBER: Troubles in the NTP simulation: "vlimit exceeded". Ülo Lille
- Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". Jiten
- AMBER: PMF correction factor Harvey, David Richard
- AMBER: How to choose force constant? tomjas.poczta.onet.pl
- Re: AMBER: why delete water molecule Dr. Yong Duan
- Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". David A. Case
- AMBER: Normal Mode Analysis possibility myang
- Re: AMBER: why delete water molecule Oliver Hucke
- Re: AMBER: Troubles in the NTP simulation: "vlimit exceeded". Bill Ross
- AMBER: reproduction of RESP charges for Gly Mikyung Seo
- AMBER: problem with MM/PBSA Itziar Maestre Asenjo
- Re: AMBER: PMF correction factor David A. Case
- Re: AMBER: some bugfixes Oliver Hucke
- Re: AMBER: separate the longitudinal and transverse vibrations frequencies David A. Case
- Re: AMBER: Normal Mode Analysis possibility David A. Case
- Re: AMBER: some bugfixes Junmei Wang
- Re: AMBER: reproduction of RESP charges for Gly FyD
- Re: AMBER: reproduction of RESP charges for Gly Bill Ross
- Re: AMBER: reproduction of RESP charges for Gly Bill Ross
- Re: AMBER: reproduction of RESP charges for Gly FyD
- AMBER: antechamber Guanglei Cui
- Re: AMBER: xleap problem hj zou
Wednesday, 5 May 2004
- AMBER: methane box anshul.imtech.res.in
- AMBER: ptraj analyze matrix entropy Marcin Krol
- AMBER: H Bonds anshul.imtech.res.in
- AMBER: Implicit solvents anshul.imtech.res.in
- Re: AMBER: problem with MM/PBSA Holger Gohlke
- Re: AMBER: ptraj analyze matrix entropy Holger Gohlke
- Re: AMBER: ptraj analyze matrix entropy Marcin Krol
- Re: AMBER: methane box FyD
- Re: AMBER: Implicit solvents David A. Case
- Re: AMBER: H Bonds David A. Case
- AMBER: reorientation in R.E.D Mikyung Seo
- Re: AMBER: ptraj analyze matrix entropy Holger Gohlke
- Re: AMBER: reorientation in R.E.D FyD
- AMBER: antechamber gives GDP 0 charge Raik Grünberg
- Re: AMBER: antechamber gives GDP 0 charge Oliver Hucke
- Re: AMBER: antechamber Amber admin
- Re: AMBER: H Bonds Bill Ross
- Re: AMBER: antechamber Scott Brozell
- AMBER: Solvent accessible surface area(LCPO) computation Sunil_Koovakkat.berlex.com
- Re: AMBER: How to choose force constant? David A. Case
- AMBER: Sander klambda question Linda Prengaman
- Re: AMBER: Sander klambda question David A. Case
- Re: AMBER: H Bonds Sanjeev B.S.
Thursday, 6 May 2004
- AMBER: simulated anealing ...vlimit exceed anshul.imtech.res.in
- Re: AMBER: simulated anealing ...vlimit exceed Carlos Simmerling
- Re: AMBER: H Bonds anshul.imtech.res.in
- Re: AMBER: H Bonds anshul.imtech.res.in
- Re: AMBER: simulated anealing ...vlimit exceed anshul.imtech.res.in
- Re: AMBER: simulated anealing ...vlimit exceed Carlos Simmerling
- Re: AMBER: ptraj analyze matrix entropy Marcin Krol
- AMBER: Possible amber8 antechamber PDB parsing bug Mark Williamson
- Re: AMBER: ptraj analyze matrix entropy David A. Case
- AMBER: ions in mm_pbsa Fang, Jianwen
- AMBER: Ligand from CCDC. Osman Gani
- AMBER: Possible amber8 antechamber PDB parsing bug Junmei Wang
- FW: AMBER: ions in mm_pbsa S. Frank Yan
- Re: AMBER: H Bonds Bill Ross
- AMBER: Computing psec/day using Amber 8 Craig TOEPFER
- AMBER: Opteron PMEMD Gary Waters
- Re: AMBER: Computing psec/day using Amber 8 David A. Case
- Re: AMBER: ions in mm_pbsa Thomas E. Cheatham, III
- Re: AMBER: Computing psec/day using Amber 8 Craig TOEPFER
- Re: AMBER: Computing psec/day using Amber 8 David A. Case
- AMBER: reference with ptraj John
- Re: AMBER: reference with ptraj Thomas E. Cheatham, III
- Re: AMBER: Opteron PMEMD Robert Duke
- AMBER: cap waters always flexible? Oliver Hucke
- AMBER: choosing 3 atoms for reorientaion in R.E.D Mikyung Seo
- Re: AMBER: choosing 3 atoms for reorientaion in R.E.D FyD
- Re: AMBER: reference with ptraj Bill Ross
- Re: AMBER: Opteron PMEMD David A. Case
- Re: AMBER: reference with ptraj Thomas E. Cheatham, III
- AMBER: solvent cap and eedmeth Oliver Hucke
- AMBER: ntwprt feature in AMBER7 Dave S Walker
- Re: AMBER: reference with ptraj Fernandez-Carmona Juan
Friday, 7 May 2004
- AMBER: ptraj analyze matrix entropy Marcin Krol
- Re: AMBER: H Bonds Sanjeev B.S.
- Re: AMBER: ptraj analyze matrix entropy Holger Gohlke
- Re: AMBER: solvent cap and eedmeth David A. Case
- Re: AMBER: Solvent accessible surface area(LCPO) computation David A. Case
- AMBER: hbond in ptraj Qiang Lu
- Re: AMBER: hbond in ptraj Thomas E. Cheatham, III
Saturday, 8 May 2004
- Re: AMBER: xleap don't recognize formaldehyde? anshul.imtech.res.in
- AMBER: Charges and atom type anshul.imtech.res.in
- AMBER: what is its file format ? scopio
- AMBER: ligand minimization atobak.eden.rutgers.edu
Monday, 10 May 2004
- AMBER: MD with NTR + NMROPT Martin Fabani
- AMBER: HIS protonation Stefano.Pieraccini.unimi.it
- Re: AMBER: HIS protonation scopio
- AMBER: ptraj read in matrix Marcin Krol
- Re: AMBER: MD with NTR + NMROPT David A. Case
- AMBER: A parm file suit for half beta and half alpha structure Qiang Lu
- Re: AMBER: some bugfixes David A. Case
- AMBER: question about mm-pbsa aini.UMDNJ.EDU
- AMBER: what does EAMBER stand for? scopio
- Re: AMBER: question about mm-pbsa Thomas Steinbrecher
Tuesday, 11 May 2004
- AMBER: simulated anealing ...vlimit exceed Michele Porro
- AMBER: mm-pbsa:- atom charges and radii ? Jeffrey Dyason
- AMBER: gaussian03 output in antechamber Stefano.Pieraccini.unimi.it
- Re: AMBER: mm-pbsa:- atom charges and radii ? Thomas E. Cheatham, III
- Re: AMBER: ptraj read in matrix Holger Gohlke
- AMBER: PMEMD Built ? Wont run.. Gary Waters
- Re: AMBER: PMEMD Built ? Wont run.. david.evans.ulsop.ac.uk
- Re: AMBER: PMEMD Built ? Wont run.. Gary Waters
- Re: AMBER: PMEMD Built ? Wont run.. Amber admin
- Re: AMBER: what does EAMBER stand for? David A. Case
- Re: AMBER: PMEMD Built ? Wont run.. Gary Waters
- Re: AMBER: what does EAMBER stand for? Scott Brozell
Monday, 10 May 2004
- Re: AMBER: mm-pbsa:- atom charges and radii ? Ray Luo
Tuesday, 11 May 2004
- Re: AMBER: PMEMD Built ? Wont run.. Scott Brozell
- Re: AMBER: PMEMD Built ? Wont run.. Gary Waters
- AMBER: ptraj and LES Guanglei Cui
- Re: AMBER: PMEMD Built ? Wont run.. Amber Administration
- AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D Mikyung Seo
- AMBER: dummy atom other than H Carsten Detering
- AMBER: Problem : antechamber produces no output Marc Perea
Wednesday, 12 May 2004
- Re: AMBER: MD with NTR + NMROPT anshul.imtech.res.in
Tuesday, 11 May 2004
- Re: AMBER: mm-pbsa:- atom charges and radii ? Holger Gohlke
Wednesday, 12 May 2004
- AMBER: gaussian03 output in antechamber Stefano.Pieraccini.unimi.it
- AMBER: shake option in sander Lishan Yao
- AMBER: dihedral driver Beale, John
- Re: AMBER: Problem : antechamber produces no output Junmei Wang
- Re: AMBER: ptraj and LES David A. Case
- Re: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D FyD
- RE: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D FyD
- Re: AMBER: AMBER charges(Cornell et al JACS, 1995) and R.E.D Piotr Cieplak
- Re: AMBER: MD with NTR + NMROPT David A. Case
- Re: AMBER: shake option in sander David A. Case
- AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke
- Re: AMBER: dummy atom other than H David A. Case
- Re: AMBER: ptraj and LES Guanglei Cui
- Re: AMBER: performance of periodic vs. non-periodic simulation Thomas E. Cheatham, III
- Re: AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke
- Re: AMBER: dummy atom other than H Carsten Detering
- AMBER: tmd questions hj zou
Thursday, 13 May 2004
- Re: AMBER: performance of periodic vs. non-periodic simulation Ben Cossins
- Re: AMBER: tmd questions Carlos Simmerling
- Re: AMBER: tmd questions Viktor Hornak
- AMBER: Atom type with/without POL Jiten
- Re: AMBER: performance of periodic vs. non-periodic simulation Oliver Hucke
- AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg
- Re: AMBER: antechamber/Mopac: strange GTP charges carlsonh.umich.edu
- Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case
- AMBER: sander_classic for cap simulations? Oliver Hucke
- AMBER: Decomposition in MMPBSA Thomas Steinbrecher
Friday, 14 May 2004
- Re: AMBER: mm_pbsa examples; delphi in mm_pbsa Kazuo Koyano
- AMBER: FAD cofactor. Osman Gani
- Re: AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg
- AMBER: Converting ORAC's topology file to AMBER's prepi file scopio
- AMBER: Simulated annealing ...vlimit problem Venkata S Koppuravuri
- AMBER: time-averaged restraints John
- AMBER: questions on mm_pbsa Fang, Jianwen
- Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case
- AMBER: solvents reference. Herbert Georg
- Re: AMBER: solvents reference. David A. Case
- Five Fingered F'in amber Unreal Photos Fist Action
- Five Fingered F'in amber Unreal Photos Fist Action
Saturday, 15 May 2004
- AMBER: antechamber anshul.imtech.res.in
- AMBER: install RESP Gustavo Pierdominici Sottile
- AMBER: installing RESP Gustavo Pierdominici Sottile
- Re: AMBER: antechamber David A. Case
- Re: AMBER: install RESP David A. Case
- Re: AMBER: Simulated annealing ...vlimit problem David A. Case
- AMBER: Program error in testing of Amber8 Do Anh Tuan
- AMBER: energy conservation with GB !! Pradipta Bandyopadhyay
- Re: AMBER: energy conservation with GB !! Dr. Yong Duan
Sunday, 16 May 2004
- Re: AMBER: Simulated annealing ...vlimit problem anshul.imtech.res.in
- Re: AMBER: Program error in testing of Amber8 Scott Brozell
Monday, 17 May 2004
- AMBER: parametrizacion partial charges Gustavo Pierdominici Sottile
- AMBER: why EGB = nan Fang, Jianwen
- Re: AMBER: parametrizacion partial charges FyD
- Re: AMBER: antechamber/Mopac: strange GTP charges Raik Grünberg
- Re: AMBER: Simulated annealing ...vlimit problem Venkata S Koppuravuri
- Re: AMBER: Simulated annealing ...vlimit problem Carlos Simmerling
- Re: AMBER: ptraj analyze matrix entropy Holger Gohlke
- AMBER: Gustavo Pierdominici Sottile
- AMBER: Treating atom type LP the same as EP Sarah Wittkopp
- Re: AMBER: Simulated annealing ...vlimit problem David A. Case
- Re: AMBER: antechamber/Mopac: strange GTP charges David A. Case
- Re: AMBER: ptraj analyze matrix entropy David A. Case
- Re: AMBER: sander_classic for cap simulations? David A. Case
- AMBER: thermodynamic integration of ring opening Carsten Detering
- Re: AMBER: thermodynamic integration of ring opening Bill Ross
- Re: AMBER: thermodynamic integration of ring opening David A. Case
- Re: AMBER: thermodynamic integration of ring opening Bill Ross
- Re: AMBER: thermodynamic integration of ring opening M. L. Dodson
- Re: AMBER: thermodynamic integration of ring opening Bill Ross
Tuesday, 18 May 2004
- Re: AMBER: Simulated annealing ...vlimit problem Narang Manpreet Kaur
- AMBER: single amino acid energy Helios Chen
- AMBER: PCA prep file Majid moghaddam
- AMBER: CAP PROTOCOL SIMULATION Obdulia Rabal
- AMBER: Clean in RESP Gustavo Pierdominici Sottile
- AMBER: DEBUG and GB Jones, Garth A
- Re: AMBER: CAP PROTOCOL SIMULATION Andreas Svrcek-Seiler
- Re: AMBER: thermodynamic integration of ring opening M. L. Dodson
- AMBER: NTT=4 Joachim Reichelt
- Re: AMBER: Clean in RESP David A. Case
- Re: AMBER: NTT=4 David A. Case
- Re: AMBER: questions on mm_pbsa Holger Gohlke
- Re: AMBER: single amino acid energy Holger Gohlke
- AMBER: CG maxitn exceeded Obdulia Rabal
- Re: AMBER: NTT=4 Joachim Reichelt
- AMBER: IGR1/grnam1 problem Marcin Krol
Monday, 17 May 2004
- Re: AMBER: CG maxitn exceeded Ray Luo
Tuesday, 18 May 2004
- Re: AMBER: thermodynamic integration of ring opening Bill Ross
Monday, 17 May 2004
- Re: AMBER: CAP PROTOCOL SIMULATION Ray Luo
Tuesday, 18 May 2004
- AMBER: PB bomb in pb_saarc S. Frank Yan
- Re: AMBER: CAP PROTOCOL SIMULATION Oliver Hucke
- AMBER: average structure from traj Holly Freedman
Monday, 17 May 2004
- Re: AMBER: PB bomb in pb_saarc Ray Luo
- Re: AMBER: CAP PROTOCOL SIMULATION Ray Luo
Tuesday, 18 May 2004
- Re: AMBER: CAP PROTOCOL SIMULATION David A. Case
- RE: AMBER: PB bomb in pb_saarc S. Frank Yan
- AMBER: Removal of rotation: Flying ice cube koby levy
- AMBER: rmsd over residues using ptraj Qiang Lu
- Re: AMBER: Removal of rotation: Flying ice cube Carlos Simmerling
- Re: AMBER: PB bomb in pb_saarc Ray Luo
- Re: AMBER: rmsd over residues using ptraj Bill Ross
- AMBER: Does this warning matter? (about improper torsion parameters) J. Zhang, Dr
- AMBER: Reproducing the energy during restart in MD! Pradipta Bandyopadhyay
Wednesday, 19 May 2004
- AMBER: problem in antechamber Suwipa saen-oon
- Re: AMBER: Reproducing the energy during restart in MD! Carlos Simmerling
- AMBER: ptraj bug? Ian Withers
- Re: AMBER: Does this warning matter? (about improper torsion parameters) David A. Case
- Re: AMBER: ptraj bug? Holger Gohlke
- RE: AMBER: rmsd over residues using ptraj Ty Curtis
- Extreme Privacy Violation 4896 Deanna Yarbro
- AMBER: address error Carsten Detering
- Re[2]: AMBER: rmsd over residues using ptraj Qiang Lu
- Re: Re[2]: AMBER: rmsd over residues using ptraj Bill Ross
- Re[4]: AMBER: rmsd over residues using ptraj Qiang Lu
- AMBER: Nonplanar ring systems in nucleic acid Ilyas Yildirim
- Re: AMBER: Nonplanar ring systems in nucleic acid darden
- Re: Re[4]: AMBER: rmsd over residues using ptraj Bill Ross
- AMBER: parallel installation problem Oliver Hucke
- Re: AMBER: problem in antechamber Junmei Wang
- AMBER: amber7, namelist, xlf and osx Knut Langsetmo
- Re: AMBER: amber7, namelist, xlf and osx Mengjuei Hsieh
- AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten
- Re: AMBER: parallel installation problem Guanglei Cui
- Re: Re: AMBER: Does this warning matter? (about improper torsion parameters) J. Zhang, Dr
Thursday, 20 May 2004
- AMBER: instalation of RES anshul.imtech.res.in
- AMBER: SHAKE in thermodynamic integration by way of riccardo nifosi
- Re: AMBER: Nonplanar ring systems in nucleic acid Jiri Sponer
- Re: AMBER: Nonplanar ring systems in nucleic acid Jiri Sponer
- Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems David A. Case
- Re: AMBER: David A. Case
- Re: AMBER: instalation of RES David A. Case
- Re: AMBER: DEBUG and GB David A. Case
- Re: AMBER: SHAKE in thermodynamic integration David A. Case
- AMBER: pbsa calculation on part of the molecule S. Frank Yan
- AMBER: Ammonia Lishan Yao
Wednesday, 19 May 2004
- Re: AMBER: pbsa calculation on part of the molecule Ray Luo
Thursday, 20 May 2004
- AMBER: PF6- force field parameters Jiten
- Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten
- RE: AMBER: pbsa calculation on part of the molecule & nmode analysis S. Frank Yan
- Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems David A. Case
- Re: AMBER: pbsa calculation on part of the molecule & nmode analysis David A. Case
- Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems James W. Caldwell
Friday, 21 May 2004
- AMBER: Problem compiling amber7 Miguel
- Request to mailing list Ahmadis rejected ahmadis-bounces.imperial.ac.uk
- Re: AMBER: Problem compiling amber7 David A. Case
- AMBER: NHE problem Ryan Ye
Saturday, 22 May 2004
- AMBER: a question about Van der waals radius Xiao He
- Re: AMBER: a question about Van der waals radius Jiri Sponer
- Re: Re: AMBER: a question about Van der waals radius Xiao He
- Re: Re: AMBER: a question about Van der waals radius Jiri Sponer
- Re: Re: Re: AMBER: a question about Van der waals radius Xiao He
- Re: Re: Re: AMBER: a question about Van der waals radius Jiri Sponer
- Re: Re: Re: Re: AMBER: a question about Van der waals radius Xiao He
- Re: AMBER: NHE problem David A. Case
- Re: AMBER: NHE problem Mengjuei Hsieh
- AMBER: parallel installation problem Oliver Hucke
- Re: AMBER: IGR1/grnam1 problem David A. Case
Sunday, 23 May 2004
- Re: AMBER: NHE problem Ryan Ye
- Re: AMBER: NHE problem David A. Case
- AMBER: h bond Ye Mei
- Re: Re: Re: Re: Re: AMBER: a question about Van der waals radius Ye Mei
Monday, 24 May 2004
- AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5.2.0GHz Tru Huynh
- Re: AMBER: parallel installation problem Viktor Hornak
- Re: AMBER: Problem compiling amber7 Viktor Hornak
- Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5.2.0GHz David A. Case
- Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5@2.0GHz Mengjuei Hsieh
- Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong
- Re: AMBER: parallel installation problem Oliver Hucke
- AMBER: Free energies using Sander in Amber8 Jiten
- Re: AMBER: Amber8 on Tru64 UNIX on Alpha systems Jiten
- Re: AMBER: Free energies using Sander in Amber8 David A. Case
- Re: AMBER: segmentation fault when running parmchk David A. Case
Tuesday, 25 May 2004
- AMBER: IOUTFM and binary/unformatted files error Martin Mucha
- Re: AMBER: Problem compiling amber7 Miguel
- Re: AMBER: Problem compiling amber7 scopio
- Re: AMBER: Problem compiling amber7 Andreas Svrcek-Seiler
- Re: AMBER: Problem compiling amber7 Viktor Hornak
- Re: AMBER: Problem compiling amber7 Joachim Reichelt
- Re: AMBER: amber7, namelist, xlf and osx Knut Langsetmo
- AMBER: Installation AMber 8: "cannot find -lU77" A. Hungie
- Re: AMBER: performance of amber7/xlf/macosX 10.3 with JAC on xserve g5.2.0GHz Tru Huynh
- AMBER: mm_pbsa energy decomposition error Fang, Jianwen
- Re: AMBER: IOUTFM and binary/unformatted files error David A. Case
- Re: AMBER: mm_pbsa energy decomposition error David A. Case
- AMBER: Compiling AMBER MPI program using GCC/G77 compiler and MPICH on AMD OPTERON 64 Ming Lei
- AMBER: Scaling nb between groups Marcin Krol
- AMBER: ptraj Holly Freedman
- RE: AMBER: ptraj Ross Walker
- AMBER: Bug in babel conversion (while following the RED manual in pp.15) Ilyas Yildirim
- Re: AMBER: Bug in babel conversion FyD
- Re: AMBER: Compiling AMBER MPI program using GCC/G77 compiler and MPICH on AMD OPTERON 64 Scott Brozell
- Re: AMBER: Scaling nb between groups David A. Case
- AMBER: A problem for compiling amber8 parallel version Chen Yongzhi
- AMBER: Surface E&S Potential Mapping Ilyas Yildirim
- AMBER: protein is out of the water box Feng, Hanqiao (NIH/NCI)
- AMBER: Cannot read in sander bybaker.itsa.ucsf.edu
- Re: AMBER: ptraj scopio
- Re: AMBER: Compiling AMBER MPI program using GCC/G77 compiler andMPICH on AMD OPTERON 64 Jyh-Shyong Ho
- Re: AMBER: ptraj Holly Freedman
Wednesday, 26 May 2004
- Re: AMBER: Cannot read in sander David A. Case
- Re: AMBER: protein is out of the water box David A. Case
- AMBER: Amber 8 compilation A. Hungie
- Re: AMBER: A problem for compiling amber8 parallel version David A. Case
- Re: AMBER: Amber 8 compilation Viktor Hornak
- AMBER: types of water atom Gustavo Pierdominici Sottile
- Re: AMBER: types of water atom Piotr Cieplak
- Re: AMBER: ptraj Holly Freedman
- AMBER: amber 8 under windows XP Adrian E. Roitberg
- RE: AMBER: amber 8 under windows XP Ross Walker
- Re: AMBER: amber 8 under windows XP David A. Case
- Re: AMBER: amber 8 under windows XP Piotr Cieplak
- Re: AMBER: Cannot read in sander bybaker.itsa.ucsf.edu
- RE: AMBER: Cannot read in sander Ross Walker
Thursday, 27 May 2004
- AMBER: xleap solvatebox problem Tomas Kubar
- AMBER: antechamber: atomtype assignment of cc/cd etc pairs in GAFF / creating atom type definition file Kamp, Marc vander
- Re: AMBER: amber 8 under windows XP Adrian E. Roitberg
- Re: AMBER: Cannot read in sander David A. Case
- Re: AMBER: amber 8 under windows XP David A. Case
- Re: AMBER: xleap solvatebox problem David A. Case
- AMBER: pdb in RED Gustavo Pierdominici Sottile
- Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong
- Re: AMBER: segmentation fault when running parmchk David A. Case
- Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong
- Re: AMBER: pdb in RED FyD
- AMBER: Amber 7 (sander) use of PME Linda Prengaman
- Re: AMBER: types of water atom Gustavo Pierdominici Sottile
- Re: AMBER: Amber 7 (sander) use of PME Carlos Simmerling
- Re: AMBER: types of water atom David A. Case
- Re: AMBER: Cannot read in sander bybaker.itsa.ucsf.edu
- AMBER: fit a 3D line to points myang
- Re: AMBER: Cannot read in sander-again bybaker.itsa.ucsf.edu
- Re: AMBER: Cannot read in sander-again Bill Ross
- Re: AMBER: Cannot read in sander-again Guanglei Cui
- Re: AMBER: Cannot read in sander-again bybaker.itsa.ucsf.edu
- Re: AMBER: Cannot read in sander-again Bill Ross
- RE: AMBER: Cannot read in sander Ross Walker
- Re: AMBER: Cannot read in sander-again David A. Case
- Re: AMBER: segmentation fault when running parmchk David A. Case
Friday, 28 May 2004
- AMBER: Re: CCL:Helical parameters extraction from trajectory Peter Gannett
- AMBER: problems with mpich Amber admin
- Re: AMBER: problems with mpich David A. Case
- Re: AMBER: problems with mpich Chen Yongzhi
- Re: AMBER: types of water atom Gustavo Pierdominici Sottile
- Re: AMBER: problems with mpich David A. Case
- AMBER: amber on AMD 64 xhu1.memphis.edu
- AMBER: Use of RED Gustavo Pierdominici Sottile
- Re: AMBER: problems with mpich Viktor Hornak
- Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong
- Re: AMBER: Use of RED FyD
- Re: AMBER: antechamber: atomtype assignment of cc/cd etc pairs in GAFF / creating atom type definition file David A. Case
- AMBER: torsion angles John
- AMBER: Sander went through bybaker.itsa.ucsf.edu
- Re: AMBER: Sander went through Rhonda Torres
- AMBER: about amber8, replica exchange J. Zhang, Dr
- Re: AMBER: about amber8, replica exchange Guanglei Cui
Saturday, 29 May 2004
- Re: AMBER: Sander went through bybaker.itsa.ucsf.edu
Friday, 28 May 2004
- Re: AMBER: about amber8, replica exchange Carlos Simmerling
Sunday, 30 May 2004
- AMBER: Low frequency in quasi-harmonic analysis!! Pradipta Bandyopadhyay
- AMBER: MMPBSA problem Dalmaris, John
- AMBER: question about NMODE for RNA xhu1.memphis.edu
- Re: AMBER: question about NMODE for RNA David A. Case
- Re: Re: AMBER: about amber8, replica exchange J. Zhang, Dr
- Re: AMBER: question about NMODE for RNA xhu1.memphis.edu
- AMBER: program compatibility hj zou
- Re: AMBER: program compatibility David A. Case
Monday, 31 May 2004
- AMBER: FEP error/early termination - why? Annette Höglund
- Re: AMBER: FEP error/early termination - why? David A. Case
- Re: AMBER: FEP error/early termination - why? Sébastien Osborne
- Re: AMBER: FEP error/early termination - why? Carlos Simmerling
- Re: AMBER: FEP error/early termination - why? Sébastien Osborne
- Re: AMBER: FEP error/early termination - why? Carlos Simmerling
- AMBER: Install Amber8 under cygwin Seonah Kim

Last message date: Tue Jun 01 2004 - 02:53:00 PDT
Archived on: Wed Apr 24 2024 - 05:53:20 PDT

Amber Archive May 2004 by date