October 2005 Archives by date

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Starting: Sat Oct 1 00:25:36 CEST 2005
Ending: Mon Oct 31 20:38:01 CET 2005
Messages: 505

[gmx-users] The energy conservation of NVE system in Gromos96 Nguyen Hoang Phuong
[gmx-users] The energy conservation of NVE system in Gromos96 Tanping Li
[gmx-users] mpich/share/machines file for dual processor machine Jeroen Mesters
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Sandeep Somani
[gmx-users] The energy conservation of NVE system in Gromos96 David
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS David
[gmx-users] Fatal Error: Water molecule Amol D. Atre
[gmx-users] Fatal Error: Water molecule David
[gmx-users] Ammonia-Water Amol D. Atre
[gmx-users] Gromacs instalation on SGI fuel naga raju
[gmx-users] Ammonia-Water David
[gmx-users] alkane interfaces Jayant James Jayasundar
[gmx-users] box size problem Rahul Karyappa
[gmx-users] problem facing after continuing the trajectory Rahul Karyappa
[gmx-users] box size problem David
[gmx-users] problem facing after continuing the trajectory David
[gmx-users] box size problem leafyoung81-group at yahoo.com
[gmx-users] box size problem leafyoung81-group at yahoo.com
[gmx-users] Discrepancy between Free Energy Perturbation usingGromos96 and OPLS Mu Yuguang (Dr)
[gmx-users] pdb file from last frame of mdrun? Samuel Flores
[gmx-users] pdb file from last frame of mdrun? Rama Gullapalli
[gmx-users] Simulated annealing MD chandran karunakaran
[gmx-users] Problem in installing gromacs in sgi irix6.5 naga raju
[gmx-users] Problem in installing gromacs in sgi irix6.5 Erik Lindahl
[gmx-users] using g87 (converted from ambconv) in g_density Hwankyu Lee
[gmx-users] Long range forces, periodic boundaries and aggregation Dallas B. Warren
[gmx-users] Parameter file Fernando Mattio
[gmx-users] "manual" on lipid bilayer simulation Arturas
[gmx-users] Parameter file MGiò
[gmx-users] Parameter file Tsjerk Wassenaar
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Maik Goette
[gmx-users] Discrepancy between Free Energy Perturbation usingGromos96 and OPLS Sandeep Somani
[gmx-users] Distance restraints Bob Johnson
[gmx-users] Distance restraints David
[gmx-users] Topology file for diamond nanocrystal in water Гена Ионов
[gmx-users] Topology file for diamond nanocrystal in water David
[gmx-users] adding parameters for surfactant in topology file Rahul Karyappa
[gmx-users] Fatal Error: 1 molecule of MeOH in 9 molecules of H2O Amol D. Atre
[gmx-users] Fatal Error: 1 molecule of MeOH in 9 molecules of H2O Dallas B. Warren
[gmx-users] adding parameters for surfactant in topology file Erik Lindahl
[gmx-users] Using a rtp file for sugar Fernando Mattio
[gmx-users] Using a rtp file for sugar Tsjerk Wassenaar
[gmx-users] help me with g_rmsf... mekanix
[gmx-users] Normal Modes Analysis Fabrizio Mancinelli
[gmx-users] help me with g_rmsf... Tsjerk Wassenaar
[gmx-users] help me with g_rmsf... mekanix
[gmx-users] Re: help me with g_rmsf... mekanix
[gmx-users] Normal Modes Analysis Bert de Groot
[gmx-users] Normal Modes Analysis Erik Lindahl
[gmx-users] Using a rtp file for sugar Fernando Mattio
[gmx-users] "manual" on lipid bilayer simulation paloureiro at biof.ufrj.br
[gmx-users] "manual" on lipid bilayer simulation Arturas
[gmx-users] error in improper dihedral perturbation code Chris Oostenbrink
[gmx-users] Using a rtp file for sugar Fernando Mattio
[gmx-users] "manual" on lipid bilayer simulation paloureiro at biof.ufrj.br
[gmx-users] Large VCM on athlon processor Viswanadham Sridhara
[gmx-users] Using a rtp file for sugar David
[gmx-users] Empty plot with g_density David
[gmx-users] error in improper dihedral perturbation code Berk Hess
[gmx-users] lie with 20 A water shell t.orban+csuohio.edu at sims.csuohio.edu
[gmx-users] Re: help me with g_rmsf... Tsjerk Wassenaar
[gmx-users] Using a rtp file for sugar Tsjerk Wassenaar
[gmx-users] Empty plot with g_density Erik Lindahl
[gmx-users] LIE with a 20 A water shell tivi
[gmx-users] POSRES Alberto Malvezzi
[gmx-users] Where can i find the test cases for gromacs and such. Kai Zhuang
[gmx-users] Where can i find the test cases for gromacs and such. David van der Spoel
[gmx-users] POSRES David van der Spoel
[gmx-users] LIE with a 20 A water shell David van der Spoel
[gmx-users] Compiling md_hole Arturas
[gmx-users] "manual" on lipid bilayer simulation Hector Mtz-Seara
[gmx-users] Compiling mdrun_make_hole: error a3arzi at vaidila.vdu.lt
[gmx-users] The difference for 1-4 interaction between FF Gromos87 and Gromos96 Tanping Li
[gmx-users] Re: help me with g_rmsf... mekanix
[gmx-users] MD error: ci ? Wang Zhun
[gmx-users] Re: Mdrun interrupted using a triclinc box Tsjerk Wassenaar
[gmx-users] [Fwd: ala10] David van der Spoel
[gmx-users] Fatal error: Bond atom type names can't be single digits Fabrizio Mancinelli
[gmx-users] Fatal error: Bond atom type names can't be single digits Erik Lindahl
[gmx-users] (no subject) Fernando Mattio
[gmx-users] (no subject) elena.papaleo
[gmx-users] (no subject) Fernando Mattio
[gmx-users] Mdrun interrupted using a triclinc box Yang Ye
[gmx-users] Mdrun interrupted using a triclinc box Yinghong
[gmx-users] Dual core on Linux Jim (Rui) Qiao
[gmx-users] Dual core on Linux leafyoung81-group at yahoo.com
[gmx-users] Dual core on Linux David
[gmx-users] error on version3.3-rc3 Wang Zhun
[gmx-users] error on version3.3-rc3 leafyoung81-group at yahoo.com
[gmx-users] error on version3.3-rc3 Erik Lindahl
[gmx-users] error on version3.3-rc3 Wang Zhun
[gmx-users] (no subject) adelabra at post.tau.ac.il
[gmx-users] (no subject) leafyoung81-group at yahoo.com
[gmx-users] (no subject) Itamar Kass
[gmx-users] (no subject) adelabra at post.tau.ac.il
[gmx-users] Increasing system size Viswanadham Sridhara
[gmx-users] Increasing system size Dallas B. Warren
[gmx-users] Increasing system size Viswanadham Sridhara
[gmx-users] Fwd:question on salt bridges 孔韧
[gmx-users] Fwd:question on salt bridges David
[gmx-users] (no subject) Fernando Mattio
[gmx-users] Fatal Error Amol D. Atre
[gmx-users] Fatal Error David
[gmx-users] Re: Mdrun interrupted using a triclinc box leafyoung81-group at yahoo.com
[gmx-users] (no subject) leafyoung81-group at yahoo.com
[gmx-users] testing ligand-protein system in Release Candidate 3 of version 3.3 mollica.luca at hsr.it
[gmx-users] Re: Mdrun interrupted using a triclinc box Tsjerk Wassenaar
[gmx-users] (no subject) Alan Dodd
[gmx-users] error on version3.3-rc3 Pradip Kumar Biswas
[gmx-users] Ice box Fernando Mattio
[gmx-users] Supradiffusivity in a bilayer Rama Gullapalli
[gmx-users] OPLS topology and parameter files for ALF4- Marta Filizola
[gmx-users] Ice box Mark Abraham
[gmx-users] Supradiffusivity in a bilayer Erik Lindahl
[gmx-users] Ice box David
[gmx-users] testing ligand-protein system in Release Candidate 3 of version 3.3 David
[gmx-users] using genbox Abdullah Taher Mohammed Nasr
[gmx-users] Ice box Erik Lindahl
[gmx-users] Re: Mdrun interrupted using a triclinc box Yinghong
[gmx-users] Supradiffusivity in a bilayer Rama Gullapalli
[gmx-users] Hessian matrix Nguyen Hoang Phuong
[gmx-users] Hessian matrix Erik Lindahl
[gmx-users] Hessian matrix Nguyen Hoang Phuong
[gmx-users] Replica exchange questions Marc Baaden
[gmx-users] Replica exchange questions Xavier Periole
[gmx-users] Replica exchange questions David van der Spoel
[gmx-users] Hessian matrix Erik Lindahl
[gmx-users] Replica exchange questions Moore, Jonathan (J)
[gmx-users] Gromacs-3.3 released Erik Lindahl
[gmx-users] Warning/hint about Gromacs-3.3 installation Erik Lindahl
[gmx-users] Need help with fix for multiple pull groups YOLANDA SMALL
[gmx-users] stripping water Ken Rotondi
[gmx-users] Hessian matrix Nguyen Hoang Phuong
[gmx-users] Gromacs-3.3 released Wenyu Zhong
[gmx-users] compile problem gromacs 3.3 Mu Yuguang (Dr)
[gmx-users] help and a tutorial Sebastien Gerega
[gmx-users] compile problem gromacs 3.3 Yang Ye
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Sandeep Somani
[gmx-users] Large VCM and mdrun crashed leafyoung81-group at yahoo.com
[gmx-users] Large VCM and mdrun crashed David
[gmx-users] install single & double precision versions of fftw-3.0.1 Jian Zou
[gmx-users] Gromacs-3.3 released Erik Lindahl
[gmx-users] compile problem gromacs 3.3 Erik Lindahl
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Erik Lindahl
[gmx-users] help and a tutorial Erik Lindahl
[gmx-users] install single & double precision versions of fftw-3.0.1 David van der Spoel
[gmx-users] LINCS error with 3.3 Yang Ye
[gmx-users] LINCS error with 3.3 David van der Spoel
[gmx-users] install single & double precision versions of fftw-3.0.1 Jian Zou
[gmx-users] help and a tutorial Tsjerk Wassenaar
[gmx-users] install single & double precision versions of fftw-3.0.1 Erik Lindahl
[gmx-users] Large VCM and mdrun crashed Tsjerk Wassenaar
[gmx-users] install single & double precision versions of fftw-3.0.1 Jian Zou
[gmx-users] Gromacs-3.3 released Wenyu Zhong
[gmx-users] install single & double precision versions of fftw-3.0.1 Erik Lindahl
[gmx-users] LINCS error with 3.3 Yang Ye
[gmx-users] LINCS error with 3.3 David
[gmx-users] question about PRODRG jztan at mail.shcnc.ac.cn
[gmx-users] installing GROMACS3.3 using RPM packages for Linux lsettimo at abo.fi
[gmx-users] Re: installing GROMACS3.3 using RPM packages for Linux lsettimo at abo.fi
[gmx-users] gromacs3.3 problem after installation Wang Zhun
[gmx-users] gromacs3.3 problem after installation Erik Lindahl
[gmx-users] Re: installing GROMACS3.3 using RPM packages for Linux Erik Lindahl
[gmx-users] LINCS error with 3.3 Yang Ye
[gmx-users] Merging two topology files Naser, Md Abu
[gmx-users] Large VCM and mdrun crashed Yinghong
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Erik Lindahl
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS David
[gmx-users] Merging two topology files David
[gmx-users] Discrepancy between Free Energy Perturbation using Gromos96 and OPLS Erik Lindahl
[gmx-users] Steered MD chandran karunakaran
[gmx-users] Discrepancy between Free Energy Perturbation usingGromos96 and OPLS Sandeep Somani
[gmx-users] CHARMM force field in gromacs Claudio, Dr. Gil
[gmx-users] Editconf - creating .gro file from .pdb file Fernando Mattio
[gmx-users] Editconf - creating .gro file from .pdb file David van der Spoel
[gmx-users] Fatal Error: Atom Type Amol D. Atre
[gmx-users] Merging two topology files Naser, Md Abu
[gmx-users] Which kind of box? Rodrigo Reston
[gmx-users] Merging two topology files David van der Spoel
[gmx-users] Steered MD Rodrigo Reston
[gmx-users] gromacs3.3 problem after installation Erik Lindahl
[gmx-users] a possible bug? Jim (Rui) Qiao
[gmx-users] a possible bug? Erik Lindahl
[gmx-users] a possible bug? Erik Lindahl
[gmx-users] Which kind of box? Tsjerk Wassenaar
[gmx-users] Re: dPCA David
[gmx-users] Re: dPCA David
[gmx-users] Prodrg Rodrigo Reston
[gmx-users] Re: dPCA Mu Yuguang (Dr)
[gmx-users] Nterm acetyl cap deepa rajamani
[gmx-users] Which kind of box? Yinghong
[gmx-users] charmm force field 27 Mu Yuguang (Dr)
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] Re: dPCA Mu Yuguang (Dr)
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] Re:Which kind of box? Tsjerk Wassenaar
[gmx-users] gromacs3.3 problem after installation Erik Lindahl
[gmx-users] Prodrg David
[gmx-users] Nterm acetyl cap David
[gmx-users] MPICH on Gbit with > 4 CPUs? Carsten Kutzner
[gmx-users] Fatal Error: Atom Type Yang Ye
[gmx-users] Merging two topology files Yang Ye
[gmx-users] gromacs3.3 problem after installation Wang Zhun
[gmx-users] Re: Re:Which kind of box? Tsjerk Wassenaar
[gmx-users] pull code arnab mukherjee
[gmx-users] Re: Re:Which kind of box? Tsjerk Wassenaar
[gmx-users] Prodrg Daan van Aalten
[gmx-users] MPICH on Gbit with > 4 CPUs? Pim Schravendijk
[gmx-users] Re:Which kind of box? Yinghong
[gmx-users] Re: MPICH on Gbit with > 4 CPUs? Justin MacCallum
[gmx-users] Re: MPICH on Gbit with > 4 CPUs? David
[gmx-users] grompp error Ken Rotondi
[gmx-users] Prodrg Rodrigo Reston
[gmx-users] grompp error Erik Lindahl
[gmx-users] Prodrg David
[gmx-users] ChelpG charge or MK charge? Erik Lindahl
[gmx-users] ChelpG charge or MK charge? jztan at mail.shcnc.ac.cn
[gmx-users] Prodrg Rodrigo Reston
[gmx-users] grompp error Viswanadham Sridhara
[gmx-users] grompp error Erik Lindahl
[gmx-users] Re: Re:Which kind of box? Yinghong
[gmx-users] Trouble using Encad in gmx-3.3 Leonardo Sepulveda Durán
[gmx-users] Re: Gromacs 3.3 RC2 Gia Maisuradze
[gmx-users] Re: Re:Which kind of box? Yinghong
[gmx-users] help and a tutorial Sebastien Gerega
[gmx-users] Prodrg David
[gmx-users] Trouble using Encad in gmx-3.3 Erik Lindahl
[gmx-users] Re: Re:Which kind of box? Tsjerk Wassenaar
[gmx-users] grompp error with gromacs-3.3 Lei Zhou
[gmx-users] help and a tutorial Tsjerk Wassenaar
[gmx-users] grompp error with gromacs-3.3 David
[gmx-users] grompp error with gromacs-3.3 Erik Lindahl
[gmx-users] help and a tutorial Sebastien Gerega
[gmx-users] help and a tutorial Erik Lindahl
[gmx-users] grompp error with gromacs-3.3 Lei Zhou
[gmx-users] prodrg on small molecule jztan at mail.shcnc.ac.cn
[gmx-users] grompp error with gromacs-3.3 Erik Lindahl
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] fatal error [using pdb2gmx] Tsjerk Wassenaar
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] coverting traj fiel to movie file Rahul Karyappa
[gmx-users] coverting traj fiel to movie file X.Periole
[gmx-users] fatal error [using pdb2gmx] David van der Spoel
[gmx-users] itp file for six-site model of water Fernando Mattio
[gmx-users] Re: prodrg on small molecule jztan at mail.shcnc.ac.cn
[gmx-users] Removal of Hydrogen atoms from the molecule?? Amol D. Atre
[gmx-users] Removal of Hydrogen atoms from the molecule?? Fernando Mattio
[gmx-users] itp file for six-site model of water Erik Lindahl
[gmx-users] itp file for six-site model of water Paul van Maaren
[gmx-users] itp file for six-site model of water Fernando Mattio
[gmx-users] Re: prodrg on small molecule Pim Schravendijk
[gmx-users] grompp error with gromacs-3.3 Pim Schravendijk
[gmx-users] grompp error with gromacs-3.3 Pim Schravendijk
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] fatal error [using pdb2gmx] Erik Lindahl
[gmx-users] [Fwd: reflecting sphere] David
[gmx-users] GMX ligand topologies Daan van Aalten
[gmx-users] Fatal error: Atomtype 'K' not found! Lisong Mao
[gmx-users] Fatal error: Atomtype 'K' not found! Yang Ye
[gmx-users] Fatal error: Atomtype 'K' not found! Erik Lindahl
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] Re: prodrg on small molecule Dallas B. Warren
[gmx-users] Fatal error: Atomtype 'K' not found! lmao
[gmx-users] energy of conformation change in water box Samuel Flores
[gmx-users] Re: dPCA David van der Spoel
[gmx-users] Fatal error: Atomtype 'K' not found! Erik Lindahl
[gmx-users] Re: reflecting sphere Pim Schravendijk
[gmx-users] ligand topology problem in 3.3 (problems in delivering this mail) Luca Mollica
[gmx-users] dielectric constant in reaction field (Gromacs3.3) Maik Goette
[gmx-users] ligand topology problem in 3.3 (problems in delivering this mail) Erik Lindahl
[gmx-users] dielectric constant in reaction field (Gromacs3.3) David van der Spoel
[gmx-users] Fatal error: Atomtype 'K' not found! lmao
[gmx-users] Parameter file - dt and nsteps Fernando Mattio
[gmx-users] Parameter file - dt and nsteps Alan Dodd
[gmx-users] Ligand bond abelius
[gmx-users] A problem about genbox zhengbs at jlu.edu.cn
[gmx-users] Another questions about Encad inside GROMACS Leonardo Sepulveda Durán
[gmx-users] ligand topology problem in 3.3 Luca Mollica
[gmx-users] dielectric constant in reaction field (Gromacs3.3) Berk Hess
[gmx-users] 3.3 release and Forcefield nb.itp format Yang Ye
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] Another questions about Encad inside GROMACS Erik Lindahl
[gmx-users] 3.3 release and Forcefield nb.itp format Erik Lindahl
[gmx-users] fatal error [using pdb2gmx] Erik Lindahl
[gmx-users] 3.3 release and Forcefield nb.itp format Yang Ye
[gmx-users] 3.3 release and Forcefield nb.itp format David
[gmx-users] 3.3 release and Forcefield nb.itp format Yang Ye
[gmx-users] 3.3 release and Forcefield nb.itp format Erik Lindahl
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] OPLSaa Force Field Arlan S.Gonçalves
[gmx-users] Ligand bond David Mobley
[gmx-users] A problem about genbox Rahul Karyappa
[gmx-users] dielectric constant in reaction field (Gromacs3.3) Maik Goette
[gmx-users] (no subject) zhengbs at jlu.edu.cn
[gmx-users] OPLSaa Force Field Maik Goette
[gmx-users] Re: dPCA David van der Spoel
[gmx-users] (no subject) zhengbs at jlu.edu.cn
[gmx-users] Re: reflecting sphere Pim Schravendijk
[gmx-users] Doubts about temperature Fernando Mattio
[gmx-users] Doubts about temperature David van der Spoel
[gmx-users] Ligand bond abelius
[gmx-users] Ligand bond Andrea Carotti
[gmx-users] principal component and essential dynamics analysis Prof. Y. U. Sasidhar
[gmx-users] principal component and essential dynamics analysis Nuno R. L. Ferreira
[gmx-users] principal component and essential dynamics analysis MGiò
[gmx-users] principal component and essential dynamics analysis Ruben Martinez-Buey
[gmx-users] g_hbond Isabella Daidone
[gmx-users] question on Cholesterol topology file Jim (Rui) Qiao
[gmx-users] Problem in mdrun_mpi using MPICH Alok
[gmx-users] g_hbond Isabella Daidone
[gmx-users] g_hbond David van der Spoel
[gmx-users] Problem in mdrun_mpi using MPICH David van der Spoel
[gmx-users] Problem in mdrun_mpi using MPICH Alok
[gmx-users] Problem in mdrun_mpi using MPICH David van der Spoel
[gmx-users] question on Cholesterol topology file Erik Lindahl
[gmx-users] Problem in mdrun_mpi using MPICH Erik Lindahl
[gmx-users] g_hbond Isabella Daidone
[gmx-users] Re: simulation of water near hydrophilic surface with gromacs David van der Spoel
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] Re: dPCA David
[gmx-users] RE: dPCA Mu Yuguang (Dr)
[gmx-users] RE: dPCA Gia Maisuradze
[gmx-users] Ligand bond Tsjerk Wassenaar
[gmx-users] Ligand bond abelius
[gmx-users] Ligand bond Andrea Carotti
[gmx-users] ngmx and X11 Wang Zhun
[gmx-users] Problem in mdrun_mpi using MPICH Alok
[gmx-users] ngmx and X11 leafyoung81-group at yahoo.com
[gmx-users] principal component and essential dynamics analysis Nuno R. L. Ferreira
[gmx-users] Ligand bond abelius
[gmx-users] ngmx and X11 David van der Spoel
[gmx-users] g_angle command output Ester Chiessi
[gmx-users] principal component and essential dynamics analysis Prof. Y. U. Sasidhar
[gmx-users] Ligand bond Andrea Carotti
[gmx-users] ngmx and X11 Naser, Md Abu
[gmx-users] g_angle command output David van der Spoel
[gmx-users] Problem in mdrun_mpi using MPICH Erik Lindahl
[gmx-users] problems in the topology of nucleotides using ffG43a2.rtp Paulo Netz
[gmx-users] Fatal error: Bond atom type names can't be single digits Naser, Md Abu
[gmx-users] Fatal error: Bond atom type names can't be single digits David van der Spoel
[gmx-users] Fatal error: Bond atom type names can't be single digits Yang Ye
[gmx-users] g_angle command output Ester Chiessi
[gmx-users] g_angle command output David van der Spoel
[gmx-users] simple stuff! Ria Sookram
[gmx-users] REMD, broken simulations and analysis Luca Mollica
[gmx-users] simple stuff! nancy gerits
[gmx-users] REMD, broken simulations and analysis Xavier Periole
[gmx-users] REMD, broken simulations and analysis Berk Hess
[gmx-users] Visualize tric box in vmd Michal Kolinski
[gmx-users] Water positions Euzebio Guimarães Barbosa
[gmx-users] OPLSAANR RNA problems Ken Rotondi
[gmx-users] reference on free energy with soft core electrostatics and PME? David Mobley
[gmx-users] OPLSAANR RNA problems David
[gmx-users] [Fwd: Help with Gromacs.] David van der Spoel
[gmx-users] force field file Dinesh Pinisetty
[gmx-users] [Fwd: Help with Gromacs.] Yang Ye
[gmx-users] Re: OPLSAANR RNA problems Andrey V. Golovin
[gmx-users] Water positions X.Periole
[gmx-users] Re: OPLSAANR RNA problems David
[gmx-users] graphical user interface problem yousef jamaali
[gmx-users] graphical user interface problem Oleg Ursu
[gmx-users] REMD ... again a problem with analysis (on the fly) mollica.luca at hsr.it
[gmx-users] REMD ... again a problem with analysis (on the fly) X.Periole
[gmx-users] Re: OPLSAANR RNA problems Andrey V. Golovin
[gmx-users] Ice box Fernando Mattio
[gmx-users] reference on free energy with soft core electrostaticsand PME? Berk Hess
[gmx-users] REMD ... again a problem with analysis (on the fly) Berk Hess
[gmx-users] trjconv and trjcat fsaadedi at staffmail.ed.ac.uk
[gmx-users] Ice box Erik Lindahl
[gmx-users] Ice box David van der Spoel
[gmx-users] trjconv and trjcat leafyoung81-group at yahoo.com
[gmx-users] SS from xpm file Nguyen Hoang Phuong
[gmx-users] SS from xpm file Mu Yuguang (Dr)
[gmx-users] SS from xpm file David van der Spoel
[gmx-users] SS from xpm file Nguyen Hoang Phuong
[gmx-users] SS from xpm file Xavier Periole
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] fatal error [using pdb2gmx] Erik Lindahl
[gmx-users] fatal error [using pdb2gmx] Tsjerk Wassenaar
[gmx-users] Question about creating new forcefield terms Suchitra Konduri
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David Mobley
[gmx-users] Question about creating new forcefield terms David
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David Mobley
[gmx-users] template.c Sukit Leekumjorn
[gmx-users] template.c Erik Lindahl
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David
[gmx-users] about snapshot aa qq
[gmx-users] about snapshot David van der Spoel
[gmx-users] Re: REMD ... again a problem with analysis (on the fly) Luca Mollica
[gmx-users] Re: REMD ... again a problem with analysis (on the fly) David van der Spoel
[gmx-users] Re: REMD ... again a problem with analysis (on the fly) Berk Hess
[gmx-users] Re: REMD ... again a problem with analysis (on the fly) X.Periole
[gmx-users] Ice box Fernando Mattio
[gmx-users] Ice box David van der Spoel
[gmx-users] g_RMS Michal Kolinski
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David Mobley
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David
[gmx-users] g_RMS David
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David Mobley
[gmx-users] g_RMS Michal Kolinski
[gmx-users] Bug in free energy calculations in heme-containing systems Chris Oostenbrink
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David Mobley
[gmx-users] g_RMS David
[gmx-users] mdrun -rerun results depend on starting .gro file. Why? David
[gmx-users] buxfix incorporated? David Mobley
[gmx-users] Bug in free energy calculations in heme-containing systems David
[gmx-users] validation of g_hbond Moore, Jonathan (J)
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] validation of g_hbond David
[gmx-users] fatal error [using pdb2gmx] David
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] fatal error [using pdb2gmx] Oliver Beckstein
[gmx-users] fatal error [using pdb2gmx] Dallas B. Warren
[gmx-users] How many processors do I need?... Brian Wengerter
[gmx-users] How many processors do I need?... Dallas B. Warren
[gmx-users] How many processors do I need?... Mark Abraham
[gmx-users] topology file for thermodynamic integration Hiromichi Tsurui
[gmx-users] Bug in free energy calculations in, heme-containing systems Chris Oostenbrink
[gmx-users] Bug in free energy calculations in, heme-containing systems David van der Spoel
[gmx-users] Bug in free energy calculations in heme-containingsystems Berk Hess
[gmx-users] Bug in free energy calculations in heme-containingsystems Erik Lindahl
[gmx-users] Fw: PME two Chain Flavia Autore
[gmx-users] topology file for thermodynamic integration Maik Goette
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] about the Umbrella input file! nanyu101 at sina.com
[gmx-users] topology file for thermodynamic integration Hiromichi Tsurui
[gmx-users] :a grompp problem using a ffamber port sara pistolesi
[gmx-users] :a grompp problem using a ffamber port David Mobley
[gmx-users] Question about creating new forcefield terms Suchitra Konduri
[gmx-users] solvate protein in water? Zhen Qin
[gmx-users] umbrella failed nanyu101 at sina.com
[gmx-users] solvate protein in water? Tsjerk Wassenaar
[gmx-users] Energy conservation issue Yujie Wu
[gmx-users] :a grompp problem using a ffamber port Anton Feenstra
[gmx-users] Energy conservation issue Berk Hess
[gmx-users] how to create a dummy atom in the oplsaa force field? nanyu101 at sina.com
[gmx-users] how to create a dummy atom in the oplsaa force field? nanyu101 at sina.com
[gmx-users] how to create a dummy atom in the oplsaa force field? leafyoung81-group at yahoo.com
[gmx-users] charge in bilayers Rama Gullapalli
[gmx-users] problem using genbox Abdullah Taher Mohammed Nasr
[gmx-users] To remove rot+trans from the trajectory sunita at chem.iitb.ac.in
[gmx-users] charge in bilayers David L. Bostick
[gmx-users] problem using genbox David
[gmx-users] To remove rot+trans from the trajectory David
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] fatal error [using pdb2gmx] David
[gmx-users] fatal error [using pdb2gmx] Sven Huttenhouse
[gmx-users] charge in bilayers Rama Gullapalli
[gmx-users] fatal error [using pdb2gmx] David
[gmx-users] Energy conservation issue Yujie Wu
[gmx-users] compilation problem on sdsc power4's David Mobley
[gmx-users] Energy conservation issue Nguyen Hoang Phuong
[gmx-users] How to increase (like x2) interactions Diego Enry
[gmx-users] Problem with encad in pdb2gmx, GMX 3.3 CVS version Leonardo Sepulveda Durán
[gmx-users] compilation problem on sdsc power4's Yang Ye
[gmx-users] how to create a dummy atom in the oplsaa force field? Yang Ye
[gmx-users] Plz suggest solution Dhananjay chandrashekhar joshi
[gmx-users] Plz suggest solution Dhananjay chandrashekhar joshi
[gmx-users] Energy conservation issue David van der Spoel
[gmx-users] How to increase (like x2) interactions David van der Spoel
[gmx-users] Problem with encad in pdb2gmx, GMX 3.3 CVS version David van der Spoel
[gmx-users] Plz suggest solution Mark Abraham
[gmx-users] Plz suggest solution David van der Spoel
[gmx-users] Energy conservation issue Berk Hess
[gmx-users] Energy conservation issue Erik Lindahl
[gmx-users] Energy conservation issue Yang Ye
[gmx-users] Defining planes with make_ndx - How? Robson Honorato
[gmx-users] Defining planes with make_ndx - How? David
[gmx-users] charge in bilayers David L. Bostick
[gmx-users] some remarks about REMD and analysis Luca Mollica
[gmx-users] some remarks about REMD and analysis David
[gmx-users] Energy conservation issue Yujie Wu
[gmx-users] Energy conservation issue Erik Lindahl
[gmx-users] fatal error lmao
[gmx-users] an elastic network David L. Bostick
[gmx-users] an elastic network David
[gmx-users] fatal error David
[gmx-users] pgcc problems in compile fftw Mu Yuguang (Dr)
[gmx-users] pgcc problems in compile fftw David
[gmx-users] pgcc problems in compile fftw Mu Yuguang (Dr)
[gmx-users] fatal error lmao
[gmx-users] pgcc problems in compile fftw David
[gmx-users] fatal error David
[gmx-users] an elastic network David L. Bostick
[gmx-users] an elastic network David
[gmx-users] ffamber ports for 3.3.1 Eric J. Sorin
[gmx-users] desorting aneamtu at iasi.mednet.ro
[gmx-users] desorting leafyoung81-group at yahoo.com
[gmx-users] Energy conservation issue Berk Hess
[gmx-users] what\'s wrong with my dummy atom definition? nanyu101 at sina.com
[gmx-users] ATP and ADP topologies for the OPLS force field TJ Piggot
[gmx-users] re:re:desorting aneamtu at iasi.mednet.ro
[gmx-users] preparation for make_hole (?) Arturas
[gmx-users] re:re:desorting David van der Spoel
[gmx-users] what\'s wrong with my dummy atom definition? leafyoung81-group at yahoo.com
[gmx-users] what\'s wrong with my dummy atom definition? nanyu101 at sina.com
[gmx-users] gromacs 3.3 user-defined potential functions Nikolai Smolin
[gmx-users] gromacs 3.3 user-defined potential functions Paul van Maaren
[gmx-users] binutils Gurpreet Singh
[gmx-users] ffamber ports for 3.3.1 David Mobley
[gmx-users] binutils Erik Lindahl
[gmx-users] g_hbond Isabella Daidone
[gmx-users] g_hbond David
[gmx-users] g_hbond Isabella Daidone

Last message date: Mon Oct 31 20:38:01 CET 2005
Archived on: Thu Nov 14 12:02:22 CET 2013

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