Amber Archive Jul 2004: by date

Thursday, 1 July 2004
- Re: AMBER: problems in using glycam Wen-Chi Tseng
- Re: AMBER: Amber 8 installation error fangyu liang
- Re: AMBER: Implicit MD simulation Carlos Simmerling
- AMBER: average structure using ptraj NI AI
- Re: AMBER: average structure using ptraj Thomas E. Cheatham, III
- Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan
- Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan
- RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker
- Re: AMBER: N-terminal Arg charges in ff99 not 1.00 David A. Case
- Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan
- RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker
- AMBER: no 'water.lib' in /amber8/dat/leap/ fangyu liang
- Re: AMBER: no 'water.lib' in /amber8/dat/leap/ Rhonda Torres
- RE: AMBER: no 'water.lib' in /amber8/dat/leap/ Ross Walker
- AMBER: MAXRMSPT error in MOIL-view Robyn Ayscue
- Re: AMBER: MAXRMSPT error in MOIL-view Carlos Simmerling
- AMBER: tleap input file error fangyu liang
- Re: AMBER: tleap input file error David A. Case
- AMBER: peptide-DNA crosslink modeling M. L. Dodson
- Re: AMBER: peptide-DNA crosslink modeling Carlos Simmerling
- Re: AMBER: peptide-DNA crosslink modeling David A. Case
Friday, 2 July 2004
- AMBER: mm_pbsa problem steven.j.enoch.gsk.com
- Re: AMBER: mm_pbsa problem david.evans.ulsop.ac.uk
- Re: AMBER: mm_pbsa problem David A. Case
- Re: AMBER: average structure using ptraj NI AI
- Re: AMBER: average structure using ptraj Chris Moth
- Re: AMBER: peptide-DNA crosslink modeling M. L. Dodson
- AMBER: question about antechamber program Sivanesan Dakshanamurthy
- Re: AMBER: question about antechamber program David A. Case
Saturday, 3 July 2004
- AMBER: best PC laptop system to run Amber 8 fangyu liang
Sunday, 4 July 2004
- Re: AMBER: best PC laptop system to run Amber 8 Andreas Svrcek-Seiler
- Re: AMBER: About TI with sander Chunhu Tan
- Re: AMBER: best PC laptop system to run Amber 8 fangyu liang
Monday, 5 July 2004
- AMBER: Problem to converge minimization Guillaume Bollot
- AMBER: Namelist problem Vlad Cojocaru
- AMBER: details for Namelist problem Vlad Cojocaru
- AMBER: combination rules German Sciaini
- Re: AMBER: Problem to converge minimization Jiten
- Re: AMBER: Namelist problem Guanglei Cui
- Re: AMBER: Namelist problem Vlad Cojocaru
- AMBER: details for Namelist problem Vlad Cojocaru
- AMBER: leap problem in AMBER7 (residue insertion) Kuhn, Bernd {PRBD~Basel}
- Re: AMBER: Namelist problem Viktor Hornak
- Re: AMBER: Namelist problem David A. Case
- Re: AMBER: Problem to converge minimization David A. Case
- AMBER: Amber8 on Digital UNIX Guillermo Mulliert Carlín
- Re: AMBER: About TI with sander David A. Case
- AMBER: multiple heat bath GB+LES Marcin Krol
- Re: AMBER: Amber8 on Digital UNIX David A. Case
- Re: AMBER: leap problem in AMBER7 (residue insertion) David A. Case
- Re: AMBER: combination rules David A. Case
- AMBER: "closestwater" algorithm Grace Li
- AMBER: How to make leap recognise Zn2+? Yongzhi Chen
Tuesday, 6 July 2004
- AMBER: sander on multiprocessors cailliez
- Re: AMBER: sander on multiprocessors Stef
- Re: AMBER: sander on multiprocessors Andreas Svrcek-Seiler
- Re: AMBER: How to make leap recognise Zn2+? Guanglei Cui
- AMBER: idecomp Marcela Madrid
- Re: AMBER: How to make leap recognise Zn2+? Yongzhi Chen
- Re: AMBER: idecomp David A. Case
- AMBER: running MD simulatons sachin patil
- AMBER: Amber7 bugfix1 sachin patil
- RE: AMBER: Amber7 bugfix1 Ross Walker
- Re: AMBER: Amber7 bugfix1 David A. Case
- Re: AMBER: running MD simulatons David A. Case
Wednesday, 7 July 2004
- Re: AMBER: Amber8 on Digital UNIX Guillermo Mulliert Carlín
- AMBER: parameter development for nucleotide analogues Vlad Cojocaru
- AMBER: name error Prashansa Agrawal
- AMBER: Namelist problem solved Vlad Cojocaru
- AMBER: Molecular dynamic bybaker.itsa.ucsf.edu
- AMBER: My strange result of TI. Chunhu Tan
Thursday, 8 July 2004
- AMBER: correlation in Amber 8 Bimo Ario Tejo
- AMBER: segmentation fault in leap anshul.imtech.res.in
- Re: AMBER: segmentation fault in leap Guillermo Mulliert Carlín
- Re: AMBER: segmentation fault in leap anshul.imtech.res.in
- AMBER: ptraj Wen Li
- AMBER: question about Ptraj jz7.duke.edu
- RE: AMBER: question about Ptraj Ross Walker
- Re: AMBER: question about Ptraj Thomas E. Cheatham, III
- AMBER: weird box expansion Herbert Georg
- RE: AMBER: ptraj Ross Walker
- Re: AMBER: weird box expansion Thomas E. Cheatham, III
- RE: AMBER: segmentation fault in leap Ross Walker
- AMBER: problems with mdcrd Carsten Detering
- RE: AMBER: Molecular dynamic Ross Walker
- RE: AMBER: problems with mdcrd Ross Walker
- RE: AMBER: name error Ross Walker
- Re: AMBER: weird box expansion Herbert Georg
- RE: AMBER: charge problem in minimization Ross Walker
- AMBER: parameter development for nucleotide analogues Vlad Cojocaru
- RE: AMBER: parameter development for nucleotide analogues Ross Walker
- AMBER: namelist problem solved Vlad Cojocaru
- Re: AMBER: idecomp Marcela Madrid
- AMBER: average using ptraj Holly Freedman
- RE: AMBER: problems with mdcrd Ross Walker
- RE: AMBER: average using ptraj Ross Walker
- Re: AMBER: charge problem in minimization David A. Case
- Re: AMBER: name error David A. Case
- AMBER: Problem with sander - Error on Open Mike
- RE: AMBER: Problem with sander - Error on Open Ross Walker
- RE: AMBER: Problem with sander - Error on Open Mike
- RE: AMBER: Problem with sander - Error on Open Thomas E. Cheatham, III
- AMBER: how to calculate E-pot from restart file? J. Zhang, Dr
- Re: AMBER: how to calculate E-pot from restart file? David A. Case
Friday, 9 July 2004
- AMBER: execution time cailliez
- AMBER: cys protecting group parameters Stefano.Pieraccini.unimi.it
- AMBER: cys protecting groups parameters Stefano.Pieraccini.unimi.it
- AMBER: Setup for parallel computing fangyu liang
- AMBER: Disulfide bond command bybaker.itsa.ucsf.edu
- RE: AMBER: Disulfide bond command Ross Walker
- Re: AMBER: Disulfide bond command bybaker.itsa.ucsf.edu
- RE: AMBER: execution time Ross Walker
- Re: AMBER: Molecular dynamic bybaker.itsa.ucsf.edu
- AMBER: MD simulation : problem sachin patil
- RE: AMBER: MD simulation : problem Ross Walker
Saturday, 10 July 2004
- AMBER: About the calculation of non-bond list Wu Lei
- AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
- AMBER: ptraj-closestwaters command Grace Li
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Mark Williamson
- Re: AMBER: Setup for parallel computing Stef
- Re: AMBER: Setup for parallel computing fangyu liang
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler David A. Case
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
Sunday, 11 July 2004
- AMBER: Rigid counteranion during MD !! Jiten
- Re: AMBER: Rigid counteranion during MD !! Jiten
- RE: AMBER: MD simulation : problem sachin patil
- RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Ross Walker
- RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Mark Williamson
- RE: AMBER: MD simulation : problem Ross Walker
Saturday, 10 July 2004
- AMBER: solvation free energy hj zou
- Re: Re: AMBER: xleap problem hj zou
- AMBER: hj zou
Friday, 9 July 2004
- AMBER: solvation free energy hj zou
Sunday, 11 July 2004
- RE: AMBER: MD simulation : problem sachin patil
Monday, 12 July 2004
- AMBER: Fe parameter hj zou
- Re: AMBER: Fe parameter Wu Lei
- AMBER: Problems with CPU scaling on cluster Your Name
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
- AMBER: RNA sequence with DNA backbone? Arvind
- Re: AMBER: Fe parameter scopio
- Re: AMBER: xleap problem scopio
- Re: Re: AMBER: xleap problem hj zou
- AMBER: question about Ptraj - AND OR james tomomi macdonald
- Re: AMBER: question about Ptraj - AND OR Thomas E. Cheatham, III
- AMBER: what is averaged RMS fluctuation? jz7.duke.edu
- Re: AMBER: question about Ptraj - AND OR Herr/Señor/Monsieur/Mister Gregory
Sunday, 11 July 2004
- Re: AMBER: solvation free energy Ray Luo
Monday, 12 July 2004
- RE: AMBER: MD simulation : problem Ross Walker
- RE: AMBER: Molecular dynamic Ross Walker
- RE: AMBER: Fe parameter Ross Walker
- RE: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Scott Brozell
- RE: AMBER: Problems with CPU scaling on cluster Ross Walker
- RE: AMBER: what is averaged RMS fluctuation? Ross Walker
- RE: AMBER: what is averaged RMS fluctuation? jz7.duke.edu
- RE: AMBER: what is averaged RMS fluctuation? Thomas E. Cheatham, III
- Re: AMBER: what is averaged RMS fluctuation? Carlos Simmerling
- Re: AMBER: RNA sequence with DNA backbone? David A. Case
- Re: AMBER: ptraj-closestwaters command Thomas E. Cheatham, III
- RE: AMBER: what is averaged RMS fluctuation? Ross Walker
- AMBER: About the free energy difference in vacuum with GIBBS. Chunhu Tan
Tuesday, 13 July 2004
- RE: AMBER: Molecular dynamic Andy Purkiss
- AMBER: Jiten
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
- Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler Jiten
- AMBER: Angle restraint during MD Jiten
- Re: AMBER: Carlos Simmerling
- Re: AMBER: Angle restraint during MD Carlos Simmerling
- Re: AMBER: solvate proteins in xleap/amber8 Ting Wang
- AMBER: Use of ibelly with nmode analysis steven.j.enoch.gsk.com
- RE: AMBER: MD simulation : problem :THANK YOU sachin patil
- AMBER: torsion scan Guanglei Cui
- RE: AMBER: Molecular dynamic Joseph Nachman
- Re: AMBER: Angle restraint during MD Jiten
- Re: AMBER: Use of ibelly with nmode analysis David A. Case
- AMBER: (no subject) anshul.imtech.res.in
- RE: AMBER: (no subject) Ross Walker
- AMBER: Parameter generation from RESP charges anshul.imtech.res.in
- Re: AMBER: torsion scan Furse, Kristina Elisabet
- Re: AMBER: Angle restraint during MD Carlos Simmerling
- Re: AMBER: Molecular dynamic & Acknowledgement bybaker.itsa.ucsf.edu
- AMBER: anisotropic scaling Xiang, Tian-Xiang
- RE: AMBER: anisotropic scaling Ross Walker
- Re: AMBER: anisotropic scaling David A. Case
- Re: AMBER: torsion scan David A. Case
- Re: AMBER: torsion scan Guanglei Cui
- AMBER: How to apply OPLS force field? Wu Lei
- Re: AMBER: Angle restraint during MD Jiten
Wednesday, 14 July 2004
- Re: AMBER: RNA sequence with DNA backbone? Arvind
- Re: AMBER: RNA sequence with DNA backbone? Vlad Cojocaru
- Re: AMBER: leap problem in AMBER7 (residue insertion) Kuhn, Bernd {PRBD~Basel}
- Re: AMBER: How to apply OPLS force field? mcpreto.fc.up.pt
- Re: AMBER: Angle restraint during MD Carlos Simmerling
- Re: AMBER: Implicit MD problem Carlos Simmerling
- AMBER: Problem with divcon - increasing MXATTS? steven.j.enoch.gsk.com
- Re: AMBER: Problem with divcon - increasing MXATTS? Kennie Merz
- Re: AMBER: Angle restraint during MD and namelist problem in amber8 Jiten
- Re: AMBER: Angle restraint during MD and namelist problem in amber8 Thomas E. Cheatham, III
- Re: AMBER: How to apply OPLS force field? Sichun Yang
- Re: AMBER: Implicit MD problem David A. Case
- Re: AMBER: How to apply OPLS force field? David A. Case
- Re: AMBER: Problem with divcon - increasing MXATTS? steven.j.enoch.gsk.com
- Re: AMBER: Implicit MD problem Carlos Simmerling
- Re: AMBER: Problem with divcon - increasing MXATTS? Kennie Merz
- RE: AMBER: Problem with divcon - increasing MXATTS? Ross Walker
- RE: AMBER: (no subject) Ross Walker
- RE: AMBER: (no subject) FyD
- AMBER: Enthalpy of solvent-solute vanderWaals Scott
- Re: AMBER: About the free energy difference in vacuum with GIBBS. David A. Case
- AMBER: ptraj Wen Li
- AMBER: tleap - FATAL error Sivanesan Dakshanamurthy
- Re: AMBER: tleap - FATAL error Scott Brozell
- Re: AMBER: How to apply OPLS force field? Wu Lei
- RE: AMBER: How to apply OPLS force field? Ross Walker
- AMBER: Normal mode calculation with periodic boundary condition Johnson Agbo
Thursday, 15 July 2004
- Re: AMBER: How to apply OPLS force field? Wu Lei
- AMBER: announcing normal mode analysis web server ElNemo Karsten Suhre
- AMBER: Correl in Amber8: Diagonal elements not 1? Bimo Ario Tejo
- Re: AMBER: xleap solvatebox/oct problem Jiten
- AMBER: Problems with amber8 and pgf90 Marc Perea
- RE: AMBER: How to apply OPLS force field? Bill Ross
- Re: AMBER: Problems with amber8 and pgf90 Scott Brozell
- Re: AMBER: xleap solvatebox/oct problem David A. Case
- Re: AMBER: Normal mode calculation with periodic boundary condition David A. Case
- Re: AMBER: How to apply OPLS force field? David A. Case
- AMBER: antechamber Xin Hu
- RE: AMBER: antechamber Ross Walker
- RE: AMBER: Problems with CPU scaling on cluster Ross Walker
- Re: AMBER: antechamber Xin Hu
- Re: AMBER: antechamber David A. Case
- AMBER: pH effect on protein folding Rukman Hertadi
- AMBER: Amber8: Vlimit problem again Yuhui Cheng
- Re: AMBER: antechamber Xin Hu
- Re: AMBER: pH effect on protein folding Bimo Ario Tejo
- AMBER: Is it a bug?(in prep file opls_unict.in) Wu Lei
Friday, 16 July 2004
- AMBER: NB pairs exceeds? Chen
- Re: AMBER: NB pairs exceeds? Wu Lei
- Re: Re: AMBER: NB pairs exceeds? Chen
- Re: AMBER: xleap solvatebox/oct problem Jiten
- Re: AMBER: Amber8: Vlimit problem again German Sciaini
- Re: AMBER: Problems with CPU scaling on cluster David E. Konerding
- Re: AMBER: antechamber David A. Case
- Re: Re: AMBER: NB pairs exceeds? David A. Case
- Re: AMBER: Amber8: Vlimit problem again David A. Case
- Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case
- AMBER: X-CA-CT-X dih. FF param ? FyD
- Re: AMBER: X-CA-CT-X dih. FF param ? Guanglei Cui
- Re: AMBER: antechamber Bill Ross
- AMBER: question about production runs opitz.che.udel.edu
- AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Rhonda Torres
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Carsten Detering
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Carsten Detering
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Ilyas Yildirim
- AMBER: Cubic Ice Johnson Agbo
- Re: AMBER: Is it a bug?(in prep file opls_unict.in) Wu Lei
Saturday, 17 July 2004
- Re: Re: AMBER: NB pairs exceeds? csong.mail.sdu.edu.cn
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Joe Harriman
- AMBER: Amber7 (8):FLUSH--FAILED:: Resource temporarily unavailable Jean-Christophe Ducom
- Re: Re: AMBER: NB pairs exceeds? David A. Case
Sunday, 18 July 2004
- Re: Re: AMBER: NB pairs exceeds? csong.mail.sdu.edu.cn
- AMBER: Re: Results from RED-II beta FyD
Monday, 19 July 2004
- AMBER: vdw energy in minimization anshul.imtech.res.in
Sunday, 18 July 2004
- AMBER: Weird compiling problem in Amber 8 echanco.uci.edu
- Re: AMBER: Weird compiling problem in Amber 8 fangyu liang
Monday, 19 July 2004
- Re: AMBER: vdw energy in minimization carlos
- Re: AMBER: Weird compiling problem in Amber 8 Scott Brozell
- Re: AMBER: vdw energy in minimization anshul.imtech.res.in
- Re: AMBER: solvation free energy Qizhi Cui
- AMBER: .lib file error in tleap anita pachaimuthu
- Re: AMBER: .lib file error in tleap Sébastien Osborne
- Re: AMBER: vdw energy in minimization Carlos Simmerling
- AMBER: antechamber - missing improper torsions O. Hucke
Sunday, 18 July 2004
- Re: AMBER: Weird compiling problem in Amber 8 Ray Luo
Monday, 19 July 2004
- AMBER: A problem regarding constant pH calculation in Amber 8 Yongzhi Chen
Tuesday, 20 July 2004
- AMBER: PB Bomb in pb_reslist(): maxnbr too small steven.j.enoch.gsk.com
- Re: AMBER: antechamber - missing improper torsions German Sciaini
- AMBER: antechamber - improper torsions Oliver Hucke
Monday, 19 July 2004
- Re: AMBER: PB Bomb in pb_reslist(): maxnbr too small Ray Luo
Tuesday, 20 July 2004
- AMBER: FW: missing bondi radii of Br and F for surface area calculation S. Frank Yan
- AMBER: about GLYCAM prep files in AMBER Ozlem Demir
- AMBER: Problem with sander tutorial. tarek mahfouz
- RE: AMBER: Problem with sander tutorial. Ross Walker
- AMBER: Bondi radii for BR and F in mm_pbsa calculation S. Frank Yan
- Re: AMBER: Bondi radii for BR and F in mm_pbsa calculation Rhonda Torres
- AMBER: Leap could not find atom type CK 吴磊
Wednesday, 21 July 2004
- Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case
- AMBER: Re: Re: AMBER: Is it a bug?(in prep file opls_unict.in) 吴磊
- AMBER: atom out of bounds Venkata S Koppuravuri
- Re: AMBER: Re: Re: AMBER: Is it a bug?(in prep file opls_unict.in) David A. Case
- AMBER: Co-ordination error while running tleap anita pachaimuthu
- RE: AMBER: antechamber - missing improper torsions Junmei Wang
- AMBER: question about ptraj jz7.duke.edu
- AMBER: What happen when sander reads charge increments from cpin file? Yongzhi Chen
- Re: AMBER: question about ptraj Guanglei Cui
- RE: AMBER: What happen when sander reads charge increments from cpin file? Ross Walker
- AMBER: cut offs in amber? Grace Li
- AMBER: amparm Vincent Bisetty
- RE: AMBER: cut offs in amber? Ross Walker
- RE: AMBER: amparm Ross Walker
- RE: AMBER: cut offs in amber? Grace Li
- Re: AMBER: cut offs in amber? Carlos Simmerling
- RE: AMBER: cut offs in amber? Ross Walker
- RE: AMBER: What happen when sander reads charge increments from cpin file? Yongzhi Chen
- RE: AMBER: cut offs in amber? Grace Li
- RE: AMBER: cut offs in amber? Ross Walker
- Re: AMBER: Amber8: Vlimit problem again Yuhui Cheng
- RE: AMBER: Amber8: Vlimit problem again Ross Walker
Thursday, 22 July 2004
- AMBER: sander tutorial mathew k varghese
- Re: AMBER: sander tutorial Carlos Simmerling
- RE: AMBER: RESP vs. AM1-BCC charges for isoprene ajakalian.lav.Boehringer-Ingelheim.com
- AMBER: mutation of atoms Nelson Fonseca
- AMBER: found unknown atflg PB Scott
- AMBER: Xleap crash, problem with residue bonding opitz.che.udel.edu
- Re: AMBER: found unknown atflg PB Holger Gohlke
- RE: AMBER: Problem with sander tutorial. tarek mahfouz
- AMBER: user force Myunggi Yi
- AMBER: (no subject) myunggi.csit.fsu.edu
- AMBER: atom out of bounds (fwd) Venkata S Koppuravuri
- RE: AMBER: atom out of bounds (fwd) Ross Walker
- RE: AMBER: Problem with sander tutorial. Ross Walker
- Re: AMBER: user force Furse, Kristina Elisabet
- RE: AMBER: Xleap crash, problem with residue bonding Ross Walker
- Re: AMBER: user force myunggi.csit.fsu.edu
- RE: AMBER: Xleap crash, problem with residue bonding Bill Ross
- Re: AMBER: user force Bill Ross
- RE: AMBER: user force Ross Walker
- RE: AMBER: user force myunggi.csit.fsu.edu
- Re: AMBER: user force Carlos Simmerling
- RE: AMBER: user force Ross Walker
- RE: AMBER: user force myunggi.csit.fsu.edu
- AMBER: Ewald parameter range Johnson Agbo
- RE: AMBER: Problem with sander tutorial. Scott
- AMBER: sander : constraints to conserve hydrogen bonds sachin patil
- Re: AMBER: sander : constraints to conserve hydrogen bonds Jiten
Friday, 23 July 2004
- Re: AMBER: Ewald parameter range David A. Case
- Re: AMBER: user force Carlos Simmerling
- Re: AMBER: sander : constraints to conserve hydrogen bonds Carlos Simmerling
- AMBER: pmemd. Osman Gani
- Re: AMBER: RESP vs. AM1-BCC charges for isoprene Oliver Hucke
- Re: AMBER: pmemd. Robert Duke
- Re: AMBER: Ewald parameter range Johnson Agbo
- AMBER: parametrization problem Carsten Detering
- RE: AMBER: parametrization problem Ross Walker
- AMBER: about RDF calculation in action.c Grace Li
- Re: AMBER: parametrization problem Carsten Detering
- Re: AMBER: parametrization problem Carsten Detering
Saturday, 24 July 2004
- AMBER: atoms not in residue templates anshul.imtech.res.in
- AMBER: erroe in installing amber8 anshul.imtech.res.in
- Re: AMBER: erroe in installing amber8 David A. Case
- RE: AMBER: atoms not in residue templates Ross Walker
Sunday, 25 July 2004
- Re: AMBER: erroe in installing amber8 Scott Brozell
- AMBER: about the parameter of the cystein pair in MD simulation Yuhui Cheng
- Re: AMBER: about the parameter of the cystein pair in MD simulation Thomas E. Cheatham, III
Monday, 26 July 2004
- AMBER: about running ptraj in amber8 jz7.duke.edu
- RE: AMBER: RESP vs. AM1-BCC charges for isoprene ajakalian.lav.Boehringer-Ingelheim.com
- Re: AMBER: Xleap crash, problem with residue bonding opitz.che.udel.edu
- RE: AMBER: about running ptraj in amber8 Ross Walker
- RE: AMBER: about running ptraj in amber8 jz7.duke.edu
- AMBER: amber compilation Livadaru, Lucian
- AMBER: about running ptraj in ambber8 (re-post) jz7.duke.edu
- Re: AMBER: amber compilation Viktor Hornak
- AMBER: Temperature Regulation Johnson Agbo
Tuesday, 27 July 2004
- AMBER: mm_pbsa Abmer8 example John
- Re: AMBER: Temperature Regulation Andreas Svrcek-Seiler
- Re: AMBER: Temperature Regulation David A. Case
- AMBER: question on simulated annealing Venkata S Koppuravuri
- AMBER: Question on Clustering Analysis Chen, Ya
- Re: AMBER: question on simulated annealing Carlos Simmerling
- Re: AMBER: question on simulated annealing David A. Case
- AMBER: using ptraj Carsten Detering
- AMBER: about correlation calculation in ptraj jz7.duke.edu
- AMBER: animation? S. Frank Yan
Wednesday, 28 July 2004
- AMBER: PB bomb in pb_saarc steven.j.enoch.gsk.com
- Re: AMBER: PB bomb in pb_saarc steven.j.enoch.gsk.com
- Re: AMBER: simulated annealing Carlos Simmerling
- Re: AMBER: animation? Guanglei Cui
- Re: AMBER: animation? aldo jongejan
- Re: AMBER: simulated annealing Abd Ghani Bin Abd Aziz
- AMBER: simulated annealing.. Abd Ghani Bin Abd Aziz
- Re: AMBER: simulated annealing.. Carlos Simmerling
- AMBER: tleap: automatically identify and connect disulfide bonds? Raik Grünberg
- Re: AMBER: tleap: automatically identify and connect disulfide bonds? Scott Brozell
- AMBER: Re: AMBER: Temperature Regulation Dawsonzhu.aol.com
- AMBER: NSPSOL in parm file Sichun Yang
Thursday, 29 July 2004
- Re: AMBER: NSPSOL in parm file David A. Case
- AMBER: ptraj: load crd without hydrogen (i.e. missing parm file) Raik Grünberg
- AMBER: umbrella sampling tang kwa
- Re: AMBER: umbrella sampling David A. Case
- Re: AMBER: tleap: automatically identify and connect disulfide bonds? Austin B. Yongye
- AMBER: Re: constant pH calculation in Amber8 John Mongan
- Re: AMBER: using ptraj Scott
- Re: AMBER: using ptraj Carsten Detering
- Re: AMBER: using ptraj Scott
Friday, 30 July 2004
- AMBER: csong.mail.sdu.edu.cn
- Re: AMBER: Guanglei Cui
- Re: AMBER: David A. Case
- AMBER: (no subject) HL Eastwood
- RE: AMBER: Ross Walker
- AMBER: WHAM program tang kwa
- RE: AMBER: (no subject) Ross Walker
- Re: AMBER: WHAM program David A. Case
- AMBER: AMBER 6 compilation problems! Grace Li
- Re: AMBER: AMBER 6 compilation problems! Carlos Simmerling
- RE: AMBER: AMBER 6 compilation problems! Ross Walker
- RE: AMBER: (no subject) HL Eastwood
- RE: AMBER: AMBER 6 compilation problems! Grace Li
- Re: AMBER: AMBER 6 compilation problems! Carlos Simmerling
- AMBER: Imaging problem Steve Seibold
- Re: AMBER: Imaging problem Thomas E. Cheatham, III
- Re: AMBER: (no subject) David A. Case
- Re: AMBER: AMBER 6 compilation problems! Grace Li
- Re: AMBER: lib file David A. Case
- RE: AMBER: (no subject) Ross Walker
- Re: AMBER: lib file Furse, Kristina Elisabet
- Re: Re: AMBER: Chen

Last message date: Sat Jul 31 2004 - 05:53:00 PDT
Archived on: Fri Nov 22 2024 - 05:53:20 PST

Amber Archive Jul 2004 by date