Amber Archive Aug 2004: by date

Monday, 2 August 2004
- Re: AMBER: tleap: automatically identify and connect disulfide bonds? Raik Grünberg
- Re: AMBER: ptraj: load crd without hydrogen (i.e. missing parm file) Raik Grünberg
- AMBER: FW: Imaging problem Steve Seibold
- AMBER: recompiling amber8 Carsten Detering
- Re: AMBER: recompiling amber8 Robert Duke
- Re: AMBER: recompiling amber8 David A. Case
- AMBER: Minimum imaging Grace Li
- Re: AMBER: mm_pbsa Abmer8 example Holger Gohlke
Tuesday, 3 August 2004
- AMBER: charge not zero anshul.imtech.res.in
- AMBER: cpinutil.pl error Rukman Hertadi
- Re: AMBER: Minimum imaging David A. Case
- Re: AMBER: charge not zero FyD
- Re: AMBER: recompiling amber8 Carsten Detering
- Re: AMBER: recompiling amber8 Robert Duke
- AMBER: xleap problem fixed! HL Eastwood
- Re: AMBER: recompiling amber8 Xiao Jian Tan
- Re: AMBER: cpinutil.pl error John Mongan
- Re: AMBER: recompiling amber8 Viktor Hornak
- AMBER: mm_pbsa problem Carsten Detering
- AMBER: Problem: Installing Amber8 on PC with Windows XP Nhat-hang Duong
- AMBER: Re: Phosphoserine residue in AMBER David A. Case
- Re: AMBER: Problem: Installing Amber8 on PC with Windows XP fangyu liang
- Re: AMBER: Problem: Installing Amber8 on PC with Windows XP David A. Case
- Re: AMBER: mm_pbsa problem Ray Luo
- Re: AMBER: Minimum imaging Joseph Nachman
Wednesday, 4 August 2004
- AMBER: Bug and Patch in ANAL Andy Purkiss
- Re: AMBER: charge not zero anshul.imtech.res.in
- AMBER: RMSD result from GB model Yongzhi Chen
- AMBER: atoms not in residue templates Yongzhi Chen
- RE: AMBER: RMSD result from GB model Ross Walker
- AMBER: intense and spectrum Yaroslava Yingling
- Re: AMBER: charge not zero FyD
- RE: AMBER: atoms not in residue templates Ross Walker
- AMBER: RE: Hello Sir, Ross Walker
- Re: AMBER: charge not zero FyD
- AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson
- RE: AMBER: sander.QMMM: CHARGE keyword in divcon.in file Ross Walker
- AMBER: A question about pheTI in AMBER8 test. Chunhu Tan
- Re: AMBER: A question about pheTI in AMBER8 test. David A. Case
- Re: AMBER: intense and spectrum David A. Case
- Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson
Thursday, 5 August 2004
- Re: AMBER: RMSD result from GB model Marcin Krol
- AMBER: Angle parameters in phosphate groups Seongeun Yang
- AMBER: How to covalently bind a ligand to a residue? Ozlem Demir
- Re: AMBER: Bug and Patch in ANAL David A. Case
- AMBER: Using TIP4P water in free energy calculation Lijiang Yang
- Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson
- Re: AMBER: Using TIP4P water in free energy calculation David A. Case
- Re: AMBER: A question about pheTI in AMBER8 test. Chunhu Tan
- Re: AMBER: A question about pheTI in AMBER8 test. David A. Case
- AMBER: sander error Rukman Hertadi
- RE: AMBER: sander error Ross Walker
- Re: AMBER: How to covalently bind a ligand to a residue? Bimo Ario Tejo
- Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang
- AMBER: another cpinutil.pl error Rukman Hertadi
Friday, 6 August 2004
- Re: AMBER: How to covalently bind a ligand to a residue? david.evans.ulsop.ac.uk
- Re: AMBER: How to covalently bind a ligand to a residue? david.evans.ulsop.ac.uk
- Re: AMBER: Using TIP4P water in free energy calculation David A. Case
- Re: AMBER: another cpinutil.pl error David A. Case
- AMBER: AMBER7 plastocyanin tutorial problem. tarek mahfouz
- Re: AMBER: AMBER7 plastocyanin tutorial problem. Rhonda Torres
- AMBER: RE: about PME in Amber6 Ross Walker
- Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang
- Re: AMBER: AMBER7 plastocyanin tutorial problem. David A. Case
Saturday, 7 August 2004
- AMBER: atomic positional fluctuation RAJA SWAMINATHAN
Sunday, 8 August 2004
- AMBER: antechamber test mathew k varghese
- Re: AMBER: antechamber test David A. Case
Monday, 9 August 2004
- AMBER: Problems with Carnal coordinate average HL Eastwood
- AMBER: error while loading shared libraries: libcxa.so.5 Madalin Giambasu
- Re: AMBER: error while loading shared libraries: libcxa.so.5 Guanglei Cui
- Re: AMBER: error while loading shared libraries: libcxa.so.5 Mark Williamson
- AMBER: trival question about format of pev file and covariance matrix jz7.duke.edu
- AMBER: Sander sachin patil
- Re: AMBER: Sander David A. Case
- Re: AMBER: Problems with Carnal coordinate average Bill Ross
- Re: AMBER: Sander sachin patil
- Re: AMBER: Adding residues tarek mahfouz
- RE: AMBER: Adding residues Ross Walker
- Re: AMBER: Adding residues Rhonda Torres
- Re: AMBER: Adding residues Bill Ross
- AMBER: question about covariance matrix from ptraj jz7.duke.edu
- AMBER: resp charge calculation for Fe+3 heme Sebastian Fernandez Alberti
- Re: AMBER: question about covariance matrix from ptraj Elijah Gregory
- Re: AMBER: resp charge calculation for Fe+3 heme James W. Caldwell
- Re: AMBER: Sander David A. Case
- AMBER: rdparm problem Lijiang Yang
- AMBER: perturb a water to a dummy water with shake Dr. Turgut Bastug
- AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng
Tuesday, 10 August 2004
- AMBER: pb_bomb in setgrd() steven.j.enoch.gsk.com
- Re: AMBER: how to correct the charge of oligosaccharides David A. Case
- Re: AMBER: how to correct the charge of oligosaccharides Karl N. Kirschner
- AMBER: Amber8 - LAM MPI Compilation problems Thomas Steinbrecher
- AMBER: RESP partial charge calculation Sebastian Fernandez Alberti
- Re: AMBER: pb_bomb in setgrd() Ray Luo
- RE: AMBER: Amber8 - LAM MPI Compilation problems Ross Walker
- Re: AMBER: RESP partial charge calculation James W. Caldwell
- Re: AMBER: RESP partial charge calculation FyD
- AMBER: unknown residue: ABA Guowen Han
- AMBER: Re: RED II and changepot FyD
- RE: AMBER: unknown residue: ABA Ross Walker
- Re: AMBER: unknown residue: ABA Bill Ross
- AMBER: Membrane protein simulation Gabbar Daaku
- AMBER: bugfix.all Lihua Wang
- Re: AMBER: unknown residue: ABA Lao_3
- AMBER: Atomic charges in Lactose Johnson Agbo
- RE: AMBER: bugfix.all Ross Walker
- Re: AMBER: Membrane protein simulation David A. Case
- AMBER: installing amber 8 on 64 bit amd opteron Dr Gavin Seddon
Wednesday, 11 August 2004
- AMBER: different cooling schedules for simulated annealing Madalin Giambasu
- Re: AMBER: Atomic charges in Lactose Karl N. Kirschner
- Re: AMBER: different cooling schedules for simulated annealing David A. Case
- AMBER: units Gustavo Pierdominici Sottile
- RE: AMBER: unknown residue: ABA Lao_3
- Re: AMBER: different cooling schedules for simulated annealing Madalin Giambasu
- AMBER: RESP charge derivation Vlad Cojocaru
- AMBER: How to test the used parameters. tarek mahfouz
- Re: AMBER: RESP charge derivation FyD
- Re: AMBER: How to test the used parameters. Bill Ross
- RE: AMBER: How to test the used parameters. Ross Walker
- AMBER: opteron 64 bit workstation sachin patil
- AMBER: parameter Gustavo Pierdominici Sottile
- Re: AMBER: parameter Guanglei Cui
- AMBER: Amber 8 Installation - C compiler? Nhat-hang Duong
- Re: AMBER: Amber 8 Installation - C compiler? fangyu liang
- RE: AMBER: Amber 8 Installation - C compiler? Ross Walker
- Re: AMBER: Amber 8 Installation - C compiler? Do Anh Tuan
Thursday, 12 August 2004
- Re: AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng
- AMBER: Gaussian in RED Vlad Cojocaru
- AMBER: Angle parameters in phosphate groups Seongeun Yang
- Re: AMBER: Angle parameters in phosphate groups Guanglei Cui
- Re: AMBER: different cooling schedules for simulated annealing David A. Case
- Re: AMBER: units David A. Case
- AMBER: ptraj -- velocities set to zero? Gabbar Daaku
- AMBER: minimization output file format Marsita M
- AMBER: bending Gustavo Pierdominici Sottile
- RE: AMBER: minimization output file format Ross Walker
- Re: AMBER: bending David A. Case
- Re: AMBER: opteron 64 bit workstation David A. Case
- AMBER: bending Gustavo Pierdominici Sottile
Friday, 13 August 2004
- AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Madalin Giambasu
- RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Niko Jukarainen
- AMBER: RED fails to read g94 output Vlad Cojocaru
- AMBER: Amber: xleap crash Helios
- AMBER: RED BUG!!!!...perhaps I fixed it Vlad Cojocaru
- AMBER: RED BUG!!! Vlad Cojocaru
- AMBER: Antechamber and dummy atoms Perdita Barran
- Re: AMBER: Antechamber and dummy atoms David A. Case
- RE: AMBER: Amber: xleap crash Ross Walker
- AMBER: pmemd config.h request for athlon Madalin Giambasu
- Re: AMBER: Antechamber and dummy atoms Oliver Hucke
- RE: AMBER: pmemd config.h request for athlon Ross Walker
- Re: AMBER: pmemd config.h request for athlon Robert Duke
- Re: AMBER: pmemd config.h request for athlon Robert Duke
- AMBER: Temp control ding
- AMBER: pmemd problems Florian Barth
- Re: AMBER: pmemd problems Robert Duke
- AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- Re: AMBER: Temp control David A. Case
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak
- AMBER: Bug: ptraj adds spurious box information Don Bashford
- Re: AMBER: Moil-view, prmtop, inpcrd question David A. Case
- Re: AMBER: Bug: ptraj adds spurious box information David A. Case
- Re: AMBER: Gaussian in RED FyD
- Re: AMBER: RED fails to read g94 output FyD
Saturday, 14 August 2004
- Re: AMBER: RED fails to read g94 output FyD
- AMBER: simulated annealing Lee SL
- Re: AMBER: Angle parameters in phosphate groups Seongeun Yang
- RE: AMBER: simulated annealing Lee SL
- Re: AMBER: Moil-view, prmtop, inpcrd question Carlos Simmerling
- Re: AMBER: simulated annealing Carlos Simmerling
- AMBER: residue database Lihua Wang
Sunday, 15 August 2004
- AMBER: About the Amber constraint constant Yuhui Cheng
- Re: AMBER: simulated annealing nurul bahiyah
- Re: AMBER: Angle parameters in phosphate groups Guanglei Cui
- Re: AMBER: Angle parameters in phosphate groups David A. Case
- Re: AMBER: About the Amber constraint constant David A. Case
- Re: AMBER: Angle parameters in phosphate groups Seongeun Yang
Monday, 16 August 2004
- AMBER: installing amber8 Dr Gavin Seddon
- RE: AMBER: pmemd. Osman Gani
- AMBER: ANAL memory problem. Osman Gani
- Re: AMBER: pmemd. Robert Duke
- Re: AMBER: pmemd. - OOPS!!! Robert Duke
- Re: AMBER: pmemd. David E. Konerding
- Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin
- RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Ross Walker
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak
- AMBER: temperature control in coupled potential runs M. L. Dodson
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz.che.udel.edu
- AMBER: Improving PMEMD performance on gigabit ethernet Linux clusters Robert Duke
- Re: AMBER: ANAL memory problem. David A. Case
- AMBER: Amber: Anal program format Helios
- Re: AMBER: About the Amber constraint constant Yuhui Cheng
Tuesday, 17 August 2004
- Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin
- AMBER: peoblemwith RED II anshul.imtech.res.in
- RE: AMBER: ANAL memory problem. Osman Gani
- AMBER: Improving PMEMD Performance on gigabit ethernet - CORRECTION Robert Duke
- Re: AMBER: About the Amber constraint constant David A. Case
- Re: AMBER: Amber: Anal program format David A. Case
- Re: AMBER: ANAL memory problem. David A. Case
- AMBER: leap: impose Guanglei Cui
- Re: AMBER: leap: impose Guanglei Cui
- Re: AMBER: leap: impose Guanglei Cui
- AMBER: RESP calculation with different multiplicities Sebastian Fernandez Alberti
- AMBER: turning off HB interactions Taner E. Dirama
- AMBER: Dr. Herman Von Grafenstein Harsh Parikh
- AMBER: mm-gbsa Oliver Hucke
- AMBER: intrinsic born radius of Br Oliver Hucke
Thursday, 19 August 2004
- AMBER: thermal ellipsoid-DNA RAJA SWAMINATHAN
- AMBER: angle bending Gustavo Pierdominici Sottile
- AMBER: metal atoms in Xleap Atilio Anzellotti
- Re: AMBER: metal atoms in Xleap Rhonda Torres
- RE: AMBER: metal atoms in Xleap Ross Walker
- RE: AMBER: angle bending Ross Walker
- AMBER: how to read in CHARMM or AMBER binary trajectories Grace Li
- RE: AMBER: how to read in CHARMM or AMBER binary trajectories Ross Walker
- AMBER: can MM-PBSA be applied to Charmm format trajectory file? jz7.duke.edu
- RE: AMBER: can MM-PBSA be applied to Charmm format trajectory file? Ross Walker
- AMBER: mmpbsa question Sébastien Osborne
- AMBER: born radius and screening parameter for Br Oliver Hucke
Friday, 20 August 2004
- AMBER: questions on mm_pbsa cailliez
- Re: AMBER: metal atoms in Xleap Atilio Anzellotti
- AMBER: Updating Amber 7 Johnson Agbo
- Re: AMBER: metal atoms in Xleap Jiri Sponer
- AMBER: mm_pbsa.pl in Amber8 Shan, Jufang
- Re: AMBER: Atomic charges in Lactose Johnson Agbo
- AMBER: Minimization error opitz.che.udel.edu
- Re: AMBER: metal atoms in Xleap Atilio Anzellotti
- RE: AMBER: Minimization error Ross Walker
Saturday, 21 August 2004
- Re: AMBER: questions on mm_pbsa Thomas Steinbrecher
- AMBER: Increasing MAXATOM in antechamber Niko Jukarainen
- Re: AMBER: Increasing MAXATOM in antechamber Guanglei Cui
- Re: AMBER: Increasing MAXATOM in antechamber Niko Jukarainen
Monday, 23 August 2004
- Re: AMBER: mm_pbsa.pl in Amber8 Sarah Rankin
- AMBER: Sander : Vrand flag sachin patil
- RE: AMBER: Sander : Vrand flag Ross Walker
- RE: AMBER: Sander : Vrand flag sachin patil
- RE: AMBER: Sander : Vrand flag Ross Walker
- RE: AMBER: Sander : Vrand flag sachin patil
- AMBER: error estimates in AMBER Grace Li
- RE: AMBER: Sander : Vrand flag Ross Walker
- AMBER: NTT=0 and TAUTP Gabbar Daaku
- RE: AMBER: NTT=0 and TAUTP Ross Walker
- AMBER: how to deal with the initial structure? hj zou
- RE: AMBER: how to deal with the initial structure? Ross Walker
Tuesday, 24 August 2004
- AMBER: problem loading pdb in leap. anshul.imtech.res.in
Monday, 23 August 2004
- RE: AMBER: problem loading pdb in leap. Ross Walker
Tuesday, 24 August 2004
- RE: AMBER: problem loading pdb in leap. anshul.imtech.res.in
Monday, 23 August 2004
- RE: AMBER: problem loading pdb in leap. Andrew Box
Tuesday, 24 August 2004
- AMBER: freezing atoms in impliciti solvent Sergio E. Wong
- RE: AMBER: problem loading pdb in leap. Ross Walker
- Re: AMBER: freezing atoms in impliciti solvent Carlos Simmerling
- RE: AMBER: Sander : Vrand flag Furse, Kristina Elisabet
- Re: AMBER: how to deal with the initial structure? Furse, Kristina Elisabet
- AMBER: Trajectory file conversion between Amber & Charmm CK Sim
- Re: AMBER: Minimization error opitz.che.udel.edu
- RE: AMBER: Trajectory file conversion between Amber & Charmm Ross Walker
- AMBER: mutation of Tyr to Leu with TI Oliver Hucke
Wednesday, 25 August 2004
- Re: AMBER: mutation of Tyr to Leu with TI Thomas Steinbrecher
- AMBER: density calculation in AMBER output Grace Li
- AMBER: restart a MD after replacing molecules cailliez
- AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong
- RE: AMBER: Amber 8 - Energy Minimization Parameters Ross Walker
- RE: AMBER: density calculation in AMBER output Ross Walker
- RE: AMBER: Minimization error Ross Walker
- RE: AMBER: restart a MD after replacing molecules Ross Walker
- AMBER: Lennard-Jones particle simulation Guanglei Cui
- Re: AMBER: Lennard-Jones particle simulation Thomas E. Cheatham, III
- Re: AMBER: Lennard-Jones particle simulation Carlos Simmerling
- Re: AMBER: Lennard-Jones particle simulation darden
- RE: AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong
- Re: AMBER: Minimization error opitz.che.udel.edu
- Re: AMBER: Lennard-Jones particle simulation Guanglei Cui
- Re: AMBER: Lennard-Jones particle simulation Piotr Cieplak
- RE: AMBER: Minimization error Ross Walker
- AMBER: About tree structure of TRP residue Yuhui Cheng
- Re: AMBER: About tree structure of TRP residue Lihua Wang
- Re: AMBER: About tree structure of TRP residue Yuhui Cheng
- Re: AMBER: About tree structure of TRP residue Bill Ross
- AMBER: One more question about the tree structure of looping residues Yuhui Cheng
Thursday, 26 August 2004
- Re: AMBER: restart a MD after replacing molecules cailliez
- AMBER: ptraj and hbond Nelson Fonseca
- AMBER: problem loading molecule in leap anshul.imtech.res.in
- AMBER: Amber8 - Floating point Nhat-hang Duong
- Re: AMBER: Amber8 - Floating point Carlos Simmerling
- Re: AMBER: Amber8 - Floating point Nhat-hang Duong
- Re: AMBER: Amber8 - Floating point Carlos Simmerling
- AMBER: question on minimization Venkata S Koppuravuri
- Re: AMBER: peoblemwith RED II FyD
- Re: AMBER: Amber8 - Floating point Michael Crowley
- Re: AMBER: Amber8 - Floating point Nhat-hang Duong
- AMBER: RESP charges in Fe+3 heme system Sebastian Fernandez Alberti
- Re: AMBER: RESP calculation with different multiplicities FyD
- Re: AMBER: One more question about the tree structure of looping residues Bill Ross
- Re: AMBER: RESP charges in Fe+3 heme system FyD
- AMBER: charge perturbation - xleap question Oliver Hucke
Friday, 27 August 2004
- Re: AMBER: charge perturbation - xleap question Thomas Steinbrecher
- AMBER: Biotin/streptavidin tutorial. Osman Gani
- Re: AMBER: peoblemwith RED II FyD
- AMBER: error for performing MD tang kwa
- AMBER: snapshots of MD trajectory Xin Hu
- Re: AMBER: snapshots of MD trajectory Guanglei Cui
- Re: AMBER: snapshots of MD trajectory Carlos Simmerling
- Re: AMBER: snapshots of MD trajectory Peter Gannett
- Re: AMBER: snapshots of MD trajectory Xin Hu
- AMBER: error of performing simulation tang kwa
- Re: AMBER: Biotin/streptavidin tutorial. Bill Ross
- Re: AMBER: snapshots of MD trajectory Guanglei Cui
- Re: AMBER: snapshots of MD trajectory Carlos Simmerling
- Re: AMBER: Minimization error opitz.che.udel.edu
- Re: AMBER: snapshots of MD trajectory Xin Hu
- AMBER: Neutral C and N termini. tarek mahfouz
Saturday, 28 August 2004
- Re: AMBER: peoblemwith RED II FyD
- AMBER: nonpalar energy contribution-DMSO Dalmaris, John
- RE: AMBER: Minimization error Ross Walker
- AMBER: MD & net charge bybaker.itsa.ucsf.edu
Sunday, 29 August 2004
- AMBER: Neutral C and N termini. tarek mahfouz
- Re: AMBER: Neutral C and N termini. M. L. Dodson
Monday, 30 August 2004
- AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling
- Re: AMBER: MD & net charge Carlos Simmerling
- Re: AMBER: MD & net charge Chris Harrison
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu
- Re: AMBER: MD & net charge Carlos Simmerling
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu
- AMBER: Amber 03 Forcefield discrepancy MD Tyka, Biochemistry
- AMBER: Differences in RESP charges for G in RG and DG residues Vlad Cojocaru
- Re: AMBER: Amber 03 Forcefield discrepancy Yong Duan
- Re: AMBER: MD & net charge bybaker.itsa.ucsf.edu
- Re: AMBER: MD & net charge Carlos Simmerling
- AMBER: jwcraft.uh.edu
- Re: AMBER: Bill Ross
- Re: AMBER: MD & net charge bybaker.itsa.ucsf.edu
- AMBER: Glycam-04 Parameters in Amber 7 Johnson Agbo
- AMBER: parm94 bybaker.itsa.ucsf.edu
Tuesday, 31 August 2004
- AMBER: Using AMBER to simulate carbon nanotubes? Chen Song
- Re: AMBER: parm94 Asim Okur
- RE: AMBER: Sander : Vrand flag sachin patil
- Re: AMBER: Using AMBER to simulate carbon nanotubes? darden
- AMBER: Increase lastrst in the &cntrl namelist Sichun Yang
- Re: AMBER: parm94 bybaker.itsa.ucsf.edu
- AMBER: PBC in sander Mingfeng Yang
- AMBER: Pulling versus Distance Restraints Nhat-hang Duong
- Re: AMBER: parm94 bybaker.itsa.ucsf.edu
- Re: AMBER: parm94 Lihua Wang
- Re: AMBER: parm94 bybaker.itsa.ucsf.edu
- Re: AMBER: David A. Case
- Re: AMBER: PBC in sander David A. Case
- Re: AMBER: Updating Amber 7 David A. Case
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) David A. Case
- Re: AMBER: Increase lastrst in the &cntrl namelist David A. Case
- Re: AMBER: Increase lastrst in the &cntrl namelist Sichun Yang

Last message date: Thu Sep 02 2004 - 01:15:13 PDT
Archived on: Sun Dec 22 2024 - 05:53:22 PST

Amber Archive Aug 2004 by date