July 2005 Archives by date

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Starting: Fri Jul 1 02:04:43 CEST 2005
Ending: Sun Jul 31 21:29:21 CEST 2005
Messages: 326

[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] Extended run from single to multy processor Dallas B. Warren
[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] Instantaneous velocities of a group of atoms Frederic Leroy
[gmx-users] Forgotten velocities Patrick Fuchs
[gmx-users] Forgotten velocities Berk Hess
[gmx-users] Re: make_ndx VISWANADHA SRIDHARA
[gmx-users] EM and positional restrain Lei Zhou
[gmx-users] DPPC question Ramachandra Rao Gullapalli
[gmx-users] Re: make_ndx T.A.Wassenaar
[gmx-users] Anisotropic United Atom model and dummy atoms. Frederic Leroy
[gmx-users] pdb2gmx and itp files Lubos Vrbka
[gmx-users] polymers and water javier
[gmx-users] Re: make_ndx VISWANADHA SRIDHARA
[gmx-users] Re: make_ndx Nuno R. L. Ferreira
[gmx-users] Scaling on SGI Altix 3700 Bx2 Haruna Cofer
[gmx-users] pdb2gmx and itp files Lubos Vrbka
v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] AMBER ports available for GROMACS Maik Goette
v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2 Berk Hess
[gmx-users] restarting runs Brian Stephenson
[gmx-users] Sulfonamide topology paolo c
v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2 Berk Hess
[gmx-users] -pbc cluster Nguyen Hoang Phuong
[gmx-users] Re: gmx-users Digest, Vol 15, Issue 6 Pim Schravendijk
[gmx-users] Re: gmx-users Digest, Vol 15, Issue 6 Berk Hess
[gmx-users] Re: gmx-users Digest, Vol 15, Issue 6 Brian Stephenson
[gmx-users] charge error Ramachandra Rao Gullapalli
[gmx-users] Re: gmx-users Digest, Vol 15, Issue 6 Berk Hess
[gmx-users] g_dist and PBC Nguyen Hoang Phuong
[gmx-users] gromacs (fwd) David van der Spoel
[gmx-users] g_dielectric-(Cole-cole) VISWANADHA SRIDHARA
[gmx-users] editing velocities in tprs Alex Robertson
[gmx-users] editing velocities in tprs Berk Hess
[gmx-users] A question on g_gyrate Hwankyu Lee
[gmx-users] rotate in editconf Attilio
[gmx-users] editing velocities in tprs Alex Robertson
[gmx-users] editing velocities in tprs Berk Hess
[gmx-users] rotate in editconf T.A.Wassenaar
[gmx-users] charge error Dallas B. Warren
[gmx-users] A question on g_gyrate Dallas B. Warren
[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] forcefield with shell model and buckingham potentials Lubos Vrbka
[gmx-users] distorted phosphate group Daniel Rigden
[gmx-users] heamatin UCT Staff Member - Jackson
[gmx-users] rotate in editconf Attilio Vargiu
[gmx-users] rotate in editconf T.A.Wassenaar
[gmx-users] distorted phosphate group Christian Burisch
[gmx-users] simulated annealing: what to do with ref_t? how slow is "slowly cooling" Kai Zhuang
[gmx-users] LIE again .. Sandeep Somani
[gmx-users] position restraint on crystal water Dilraj Lama
[gmx-users] what is the atom type CHE Makoto Yoneya
[gmx-users] CONCOORD vincenzo venditti
[gmx-users] CONCOORD vincenzo venditti
[gmx-users] what is the atom type CHE Kai Zhuang
[gmx-users] Gromos x Gromacs Alberto Malvezzi
[gmx-users] polymers and water models javier sacristan
[gmx-users] how to plot the intramolecular energy terms separately for each c omponent Moore, Jonathan (J)
[gmx-users] energy minimization for a normal mode analysis Kristina Woods
[gmx-users] lipid bilayers jumping out of the box mark vaughn
[gmx-users] lipid bilayers jumping out of the box David L. Bostick
[gmx-users] energy minimization settings Lei Zhou
[gmx-users] Scaling on SGI Altix 3700 Bx2 Dallas B. Warren
[gmx-users] Load imbalance reduced performance to 400% of max Jim Kress
[gmx-users] CONCOORD vincenzo venditti
[gmx-users] Load imbalance reduced performance to 400% of max Nathan Moore
[gmx-users] gromacs for sp5 and g(r,theta) acorrea at unisa.it
[gmx-users] settle with tip4p water Lubos Vrbka
[gmx-users] CONCOORD Bert de Groot
[gmx-users] coulomb SR in 3.3cvs Michel Cuendet
[gmx-users] energy minimization settings Kai Zhuang
[gmx-users] alchemical free energy changes with OPLS Brian Stephenson
[gmx-users] Gromos x Gromacs Kai Zhuang
[gmx-users] K+ ion adding problem Venky
[gmx-users] K+ ion adding problem Brian Stephenson
[gmx-users] ffG43a2x or ffG45a3? Ramachandra Rao Gullapalli
[gmx-users] K+ ion adding problem Venky Krishna
[gmx-users] How exact are exact restarts? Mark Abraham
[gmx-users] Scaling on SGI Altix 3700 Bx2 Mark Abraham
[gmx-users] alchemical free energy changes with OPLS Alexandre Suman de Araujo
[gmx-users] cg Gregory Ross Bowman
[gmx-users] cg Kai Zhuang
[gmx-users] Suggestions... Ken Rotondi
[gmx-users] bus error during pdb2gmx Kai Zhuang
[gmx-users] bus error during pdb2gmx David
[gmx-users] position restraint on crystal waters Dilraj Lama
[gmx-users] position restraint on crystal waters David
[gmx-users] Suggestions... Lubos Vrbka
[gmx-users] xvg and xmgrace... mekanix
[gmx-users] combined ED vincenzo venditti
[gmx-users] position restraint on crystal waters Dilraj Lama
[gmx-users] Splitting molecule over several CPUs Ute Roehrig
[gmx-users] position restraint on crystal waters David van der Spoel
[gmx-users] Gromacs in 64 bits Cesar Lopez
[gmx-users] Floating Exception - ngmx Bartlett, Gail J
[gmx-users] Gromacs in 64 bits David
[gmx-users] Energy Minimisation Joanne Hanna
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet Kai Zhuang
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet David
[gmx-users] Energy Minimisation David
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet Kai Zhuang
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet David
[gmx-users] How to get the c12 in LJ? Tanping Li
[gmx-users] position restraint on crystal water Dilraj Lama
[gmx-users] How to get the c12 in LJ? David van der Spoel
[gmx-users] position restraint on crystal water David van der Spoel
[gmx-users] Periodic Boundaries and cut off Joanne Hanna
[gmx-users] position restraint on crystal water Dilraj Lama
[gmx-users] position restraint on crystal water David van der Spoel
[gmx-users] install on solaris10 Lin Zhen
[gmx-users] Fwd: vacancy acorrea at unisa.it
[gmx-users] How to get the c12 in LJ? Tanping Li
[gmx-users] install on solaris10 David van der Spoel
[gmx-users] How to get the c12 in LJ? David van der Spoel
[gmx-users] How to get the c12 in LJ? Jason de Joannis
[gmx-users] lincs algorithm Lin Zhen
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet Kai Zhuang
[gmx-users] bus error / opps, sorry david, sent reply to ur private inbox by accidnet David
[gmx-users] Position Restraint - Effect on barrostat Rahul Godawat
[gmx-users] Too many iterations in routine JACOBI 이 선주
[gmx-users] Re: Confusion with g_SAS David van der Spoel
[gmx-users] [Fwd: Segmentation Fault] David van der Spoel
[gmx-users] [Fwd: Segmentation Fault] Andrea Carotti
[gmx-users] [Fwd: Segmentation Fault] David van der Spoel
[Fwd: Re: [gmx-users] install on solaris10] David van der Spoel
[gmx-users] pdb2gmx javier
[gmx-users] pdb2gmx Wang Zhun
[gmx-users] pdb2gmx David
[gmx-users] pdb2gmx Robert Murawski
[gmx-users] pdb2gmx javier
[gmx-users] GLUH is not recognised by pdb2gmx Pradip Kumar Biswas
[gmx-users] Mean square flucutation Sekar Ramachandran
[gmx-users] lipid bilayers jumping out of the box Matt Ziegler
[gmx-users] Re: pdb2gmx Jon
[gmx-users] How to get the c12 in LJ? Tanping Li
[gmx-users] GLUH is not recognised by pdb2gmx Tsjerk Wassenaar
[gmx-users] GLUH is not recognised by pdb2gmx David
[gmx-users] Mean square flucutation David
[gmx-users] How to get the c12 in LJ? David
[gmx-users] help! xi zhao
[gmx-users] ngmx missing André Melro
[gmx-users] ngmx missing David
[gmx-users] It appears that the Claim that NAMD works with gromacs is false Jim Kress
[gmx-users] bond breaking Albert Sun
[gmx-users] It appears that the Claim that NAMD works with gromacs is false David
[gmx-users] bond breaking David
[gmx-users] about two peptides interaction Wang Zhun
[gmx-users] It appears that the Claim that NAMD works with gromacs is false Jim Kress
[gmx-users] windows XP Paul Schlesinger
[gmx-users] GORMOS53a parameters for DMPC Itamar Kass
[gmx-users] change force field parameters javier
[gmx-users] complile CVS on alpha Compac 64 Mu Yuguang (Dr)
[gmx-users] change force field parameters David
[gmx-users] Exact restarts don't seem to be exact Mark Abraham
[gmx-users] quantum chemistry interface Sergio A. Hassan (NIH)
[gmx-users] quantum chemistry interface Pradip Kumar Biswas
[gmx-users] about two peptides interaction Wang Zhun
[gmx-users] gromacs 3.2.1 cygwin javier sacristan
[gmx-users] gromacs 3.2.1 cygwin David
[gmx-users] gromacs 3.2.1 cygwin Mark Abraham
[gmx-users] gyration radius David van der Spoel
[gmx-users] gyration radius David van der Spoel
[gmx-users] A question about gromacs and gamess-uk =?gb2312?B?5bC55L+K?=
[gmx-users] gyration radius Ran Friedman
[gmx-users] gyration radius Ran Friedman
[gmx-users] pbc M.Naser
[gmx-users] pbc David
[gmx-users] steric clash during docking experiment Kai Zhuang
[gmx-users] Syntax: mdrun -multi option Nathan Moore
[gmx-users] RNA woes Ken Rotondi
[gmx-users] Different Coulomb energy between gromacs and my calculation Tanping Li
[gmx-users] steric clash during docking experiment David van der Spoel
[gmx-users] Syntax: mdrun -multi option David van der Spoel
[gmx-users] RNA woes David van der Spoel
[gmx-users] Different Coulomb energy between gromacs and my calculation David van der Spoel
[gmx-users] Free Energy - units in dgdl.xvg Sandeep Somani
[gmx-users] energy and charge groups Guillem Portella
[gmx-users] Free Energy Methods for Ligand Comparison Joanne Hanna
[gmx-users] Syntax: mdrun -multi option Nathan Moore
[gmx-users] Syntax: mdrun -multi option David van der Spoel
[gmx-users] Question about g_covar with -mwa option Yen-Ting Lai
[gmx-users] RNA woes Ken Rotondi
[gmx-users] Fwd: energy and charge groups Guillem Portella
[gmx-users] Different Coulomb energy between gromacs and my calculation Tanping Li
[gmx-users] RNA woes David van der Spoel
[gmx-users] About grompp error. "Not enough ref_t and tau_t values." Monique Brito
[gmx-users] RNA woes Ken Rotondi
[gmx-users] About grompp error. "Not enough ref_t and tau_t values." David
[gmx-users] timestep and PBC VISWANADHA SRIDHARA
[gmx-users] Re: About grompp problem: Not enough ref_t and ref_p values Monique Brito
[gmx-users] Re: About grompp problem: Not enough ref_t and ref_p values VISWANADHA SRIDHARA
[gmx-users] Decane layer M.Naser
[gmx-users] Decane layer David
[gmx-users] Different Coulomb energy between gromacs and my calculation Tanping Li
[gmx-users] problem with thermodynamic integration simulation Parag Mukhopadhyay
[gmx-users] Handling a very large system Ken Rotondi
[gmx-users] Handling a very large system David
[gmx-users] Handling a very large system Ken Rotondi
[gmx-users] Dual-Core Opteron benchmarks David
[gmx-users] Carbon Nanotube and Periodic Boundary Conditions Bob Johnson
[gmx-users] tpbconv error with 3.3_beta_20050202 Dallas B. Warren
[gmx-users] Carbon Nanotube and Periodic Boundary Conditions David van der Spoel
[gmx-users] Handling a very large system David van der Spoel
[gmx-users] tpbconv error with 3.3_beta_20050202 David van der Spoel
[gmx-users] David, how to make a rigid molecule? xieyh at hkusua.hku.hk
[gmx-users] David, how to make a rigid molecule? Tommy Carstensen
[gmx-users] Carbon Nanotube and Periodic Boundary Conditions Lubos Vrbka
[gmx-users] Hydrogens in lipid bilayer naga raju
[gmx-users] Hydrogens in lipid bilayer Andreas Kukol
[gmx-users] David van der Spoel M.Naser
[gmx-users] David van der Spoel Tsjerk Wassenaar
[gmx-users] David van der Spoel M.Naser
[gmx-users] crashes using multi-processor nodes Matt Ziegler
[gmx-users] Vesicle downloads Viswanadham Sridhara
[gmx-users] polymer NVT javier
[gmx-users] polymer NVT parinald at unsl.edu.ar
[gmx-users] polymer NVT David van der Spoel
[gmx-users] Lipid bilayer parameters naga raju
[gmx-users] polymer NVT javier sacristan
[gmx-users] Lipid bilayer parameters David
[gmx-users] Lipid bilayer parameters Tsjerk Wassenaar
[gmx-users] hdb format of Amber FF ports leafyoung81-group at yahoo.com
[gmx-users] Re: Lipid bilayer parameters (David) Jim Kress
[gmx-users] tpbconv error with 3.3_beta_20050202 Dallas B. Warren
[gmx-users] Re: Lipid bilayer parameters (David) David
[gmx-users] tpbconv error with 3.3_beta_20050202 Berk Hess
[gmx-users] Insertion of a protein in lipid bilayer naga raju
[gmx-users] different nb parameters for inter and intramolecular interactions Lubos Vrbka
[gmx-users] Insertion of a protein in lipid bilayer Michael
[gmx-users] How to check on the progress of parallel run itai bloch
[gmx-users] WARNING: your box is exploding! Sukit Leekumjorn
[gmx-users] Linear momenta Alberto Malvezzi
[gmx-users] three principal moments of inertia Hwankyu Lee
[gmx-users] Linear momenta David
[gmx-users] How to check on the progress of parallel run David
[gmx-users] Re: Vesicle downloads Viswanadham Sridhara
[gmx-users] Re: dielectric permittivity Viswanadham Sridhara
[gmx-users] ffgmx2-c.tdb Derrick Guang Yuh Lee
[gmx-users] WARNING: your box is exploding! David
[gmx-users] Re: dielectric permittivity David
[gmx-users] Vesicle downloads Viswanadham Sridhara
[gmx-users] ffgmx2-c.tdb Ken Rotondi
[gmx-users] usage of g-density? Takes days to complete Matt Ziegler
[gmx-users] Three principal moments of inertia Hwankyu Lee
[gmx-users] free-energy calculation with Gromacs 3.1.5_pre1 on MacOS Parag Mukhopadhyay
[gmx-users] Dielectric constant Daejoong Kim
[gmx-users] Posres and pressure coupling Joanne Hanna
[gmx-users] Dielectric constant Viswanadham Sridhara
[gmx-users] Insertion of a protein in lipid bilayer Dallas B. Warren
[gmx-users] tpbconv error with 3.3_beta_20050202 Dallas B. Warren
[gmx-users] potential energy of a peptide in explicit DMSO Xiaoming Zhang
[gmx-users] Three principal moments of inertia David
[gmx-users] Posres and pressure coupling David
[gmx-users] tpbconv error with 3.3_beta_20050202 Berk Hess
[gmx-users] potential energy of a peptide in explicit DMSO Anton Feenstra
[gmx-users] opls to gromos conversion Minami Mo
[gmx-users] opls to gromos conversion David
[gmx-users] Insertion of protein in lipid bilayer naga raju
[gmx-users] A strange interaction energies... bmbbl at leeds.ac.uk
[gmx-users] Freeze and minimization Michal Kolinski
[gmx-users] multi option Nathan Moore
[gmx-users] crushing with longer time step M.Naser
[gmx-users] multi option David
[gmx-users] Fw: Freeze and minimization Michal Kolinski
[gmx-users] crushing with longer time step David
[gmx-users] Fw: Freeze and minimization David
[gmx-users] potential energy of a peptide in explicit DMSO Xiaoming Zhang
[gmx-users] multi option Nathan Moore
[gmx-users] potential energy of a peptide in explicit DMSO Xiaoming Zhang
[gmx-users] potential energy of a peptide in explicit DMSO David
[gmx-users] LINCS warnings and box errors abelius
[gmx-users] do_dssp Andrea Carotti
[gmx-users] PBC problems when creating water layer around protein on an XTC trajectory Marc Baaden
[gmx-users] How to insert protein in lipid bilayer naga raju
[gmx-users] How to insert protein in lipid bilayer Farid Sa'adedin
[gmx-users] PBC problems when creating water layer around protein on an XTC trajectory Xavier Periole
[gmx-users] 3.3beta vs 3.2 dispersion correction term Sukit Leekumjorn
[gmx-users] potential energy of a peptide in explicit DMSO Xiaoming Zhang
[gmx-users] Gmxcheck error - "Fatal error: Can not determine precision of trn file, quit!" Jeffrey Copps
[gmx-users] 3.3beta vs 3.2 dispersion correction term David
[gmx-users] potential energy of a peptide in explicit DMSO David
[gmx-users] Fmax consistently on same atom Joanne Hanna
[gmx-users] Gmxcheck error - "Fatal error: Can not determine precision of trn file, quit!" David
[gmx-users] Fmax consistently on same atom David
[gmx-users] 3.3beta vs 3.2 dispersion correction term Sukit Leekumjorn
[gmx-users] 3.3beta vs 3.2 dispersion correction term David
[gmx-users] Re: LINCS warnings and box errors Tsjerk Wassenaar
[gmx-users] Re: How to insert protein in lipid bilayer Tsjerk Wassenaar
[gmx-users] Re: PBC problems when creating water layer around protein on an XTC trajectory Tsjerk Wassenaar
[gmx-users] Insertion of protein in lipid bilayer John Simms
[gmx-users] 3.3beta vs 3.2 dispersion correction term Sukit Leekumjorn
[gmx-users] calculate the orientation of a group David Haubertin
[gmx-users] 3.3beta vs 3.2 dispersion correction term David
[gmx-users] Need Help Ur-Rehman, Saif
[gmx-users] Insertion of protein in lipid bilayer rob yang
[gmx-users] calculate the orientation of a group David
[gmx-users] Need Help David
[gmx-users] Insertion of protein in lipid bilayer David
[gmx-users] 3.3beta vs 3.2 dispersion correction term Sukit Leekumjorn
[gmx-users] potential energy of a peptide in explicit DMSO Xiaoming Zhang
[gmx-users] No default Proper Dih. types, using zeroes anwar at cdfd.org.in
[gmx-users] Re : Re: calculate the orientation of a group David Haubertin
[gmx-users] No default Proper Dih. types, using zeroes David
[gmx-users] No default Proper Dih. types, using zeroes MGiò
[gmx-users] RE: Insertion of protein in lipid bilayer Graham Smith
[gmx-users] RE: Insertion of protein in lipid bilayer Graham Smith
[gmx-users] Inserting protein in the decane-water interface system M.Naser
[gmx-users] translate .pdb file to a .top file kruegerj at fh-bingen.de
[gmx-users] hydrogens in pope headgroups Qing Zhu
[gmx-users] translate .pdb file to a .top file David van der Spoel
[gmx-users] spc water pressure VS density Lin Zhen
[gmx-users] spc water pressure VS density David van der Spoel
[gmx-users] RE: Insertion of protein in lipid bilayer rob yang
[gmx-users] How to make sure to reach the equalibrium state for the protein solution Tanping Li
[gmx-users] How to make sure to reach the equalibrium state (2) Tanping Li
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] potential energy of a peptide in explicit DMSO - Xiaoming Zhang <smash04 at gmail.com>, Discussion list for GROMACS users <gmx-users at gromacs.org> Xiaoming Zhang
[gmx-users] How to make sure to reach the equalibrium state for the protein solution David
[gmx-users] How to make sure to reach the equalibrium state (2) David
[gmx-users] potential energy of a peptide in explicit DMSO David
[gmx-users] How to make sure to reach the equalibrium state for the protein solution Tanping Li
[gmx-users] How to make sure to reach the equalibrium state for the protein solution David
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] compiling gromacs on powerpc64 David

Last message date: Sun Jul 31 21:29:21 CEST 2005
Archived on: Thu Nov 14 12:01:57 CET 2013

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