March 2002 Archives by date

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Starting: Fri Mar 1 00:59:24 CET 2002
Ending: Sat Mar 30 16:49:17 CET 2002
Messages: 368

[GMX-USERS] Pull Code David van der Spoel
[gmx-users] Version 3.1 released... Erik Lindahl
[gmx-users] GROMOS vs. GROMACS David van der Spoel
[gmx-users] (no subject) santini
[gmx-users] GROMOS vs. GROMACS Nguyen Hoang Phuong
[gmx-users] Re: Gromacs - installation problems Anton Feenstra
[gmx-users] Re: Gromacs - installation problems Anton Feenstra
[gmx-users] GROMOS vs. GROMACS Berk Hess
[gmx-users] GROMOS vs. GROMACS Berk Hess
[gmx-users] Nucl. Acids Force-Field Importation??? Anton Feenstra
[gmx-users] parallel problem Yuguang Mu
[gmx-users] parallel problem Yuguang Mu
[gmx-users] parallel problem Bert de Groot
[gmx-users] parallel problem Anton Feenstra
[gmx-users] (no subject) David van der Spoel
[gmx-users] GROMOS vs. GROMACS David van der Spoel
[gmx-users] parallel problem Mehmet Suezen
[gmx-users] compiling 3.1 David L. Bostick
[gmx-users] parallel problem jozef hritz
[gmx-users] compiling 3.1 Erik Lindahl
[gmx-users] SGI-O2 IRIX 6.5 Compile trouble Erik Lindahl
[gmx-users] compiling 3.1 Erik Lindahl
[gmx-users] Nucl. Acids Force-Field Importation??? David van der Spoel
[gmx-users] parallel problem Erik Lindahl
[gmx-users] parallel problem David van der Spoel
[gmx-users] parallel problem David van der Spoel
[gmx-users] Minor fixes to SSE2 & solaris Erik Lindahl
[gmx-users] SGI-O2 IRIX 6.5 Compile trouble David van der Spoel
[gmx-users] Nucl. Acids Force-Field Importation??? Patrick Ladam
[gmx-users] SGI-O2 IRIX 6.5 compile trouble Patrick Ladam
[gmx-users] SGI-O2 IRIX 6.5 Compile trouble Patrick Ladam
[gmx-users] parallel problem Choon Peng
[gmx-users] parallel problem Erik Lindahl
[gmx-users] data analysis on-fly Rui Qiao
[gmx-users] data analysis on-fly David van der Spoel
[gmx-users] Calculation of LJ potential sadhna
[gmx-users] data analysis on-fly Erik Lindahl
[gmx-users] Calculation of LJ potential Erik Lindahl
[gmx-users] NEMD problem and analysis on-fly Rui Qiao
[gmx-users] parallel problem Jithesh
[gmx-users] NEMD problem and analysis on-fly David van der Spoel
[gmx-users] Re: OPLS Bert de Groot
[gmx-users] charmm dcd to gromacs Jocelyne Vreede
[gmx-users] dual processor version Dr. Y. U. Sasidhar
[gmx-users] comparison of reaction field and PME Yuguang Mu
[gmx-users] comparison of reaction field and PME Bert de Groot
[gmx-users] distance_restraints jozef hritz
[gmx-users] comparison of reaction field and PME Yuguang Mu
[gmx-users] genalg.c Bert de Groot
[gmx-users] comparison of reaction field and PME Yuguang Mu
[gmx-users] Re: OPLS David van der Spoel
[gmx-users] charmm dcd to gromacs David van der Spoel
[gmx-users] binary distro for platforms other than linux? Bert de Groot
[gmx-users] dual processor version David van der Spoel
[gmx-users] SGI-O2-IRIX6.5-Compile-Problem:Almost there... David van der Spoel
[gmx-users] genalg.c Erik Lindahl
[gmx-users] comparison of reaction field and PME Erik Lindahl
[gmx-users] binary distro for platforms other than linux? Erik Lindahl
[gmx-users] comparison of reaction field and PME David van der Spoel
[gmx-users] periodic boundary trj Giorgos Karvounis
[gmx-users] comparison of reaction field and PME David van der Spoel
[gmx-users] periodic boundary trj David van der Spoel
[gmx-users] SGI-O2-IRIX6.5-Compile-Problem:Almost there... Patrick Ladam
[gmx-users] parallel problem Choon Peng
[gmx-users] parallel problem Erik Lindahl
[gmx-users] periodic boundary trj Anton Feenstra
[gmx-users] binary distro for platforms other than linux? Anton Feenstra
[gmx-users] configure error with myrinet mpicc Bert de Groot
[gmx-users] binary distro for platforms other than linux? Anton Feenstra
[gmx-users] IRIX-6.5 Compile Problem still David van der Spoel
[gmx-users] double processor run jozef hritz
[gmx-users] double processor run Erik Lindahl
[gmx-users] (no subject) Atom News
[gmx-users] (no subject) Erik Lindahl
[gmx-users] IRIX-6.5 Compile Problem still Patrick Ladam
[gmx-users] List archives are searchable now Erik Lindahl
[gmx-users] Pairwise Enery Calculation Manish Gupta
[gmx-users] configure error with myrinet mpicc Bert de Groot
[gmx-users] Calculation of the SAS Andrea Hombrecher
[gmx-users] ligand docking jozef hritz
[gmx-users] ligand docking Bert de Groot
[gmx-users] ligand docking Berk Hess
[gmx-users] order parameters intra molecular vectors Peter Fojan
[gmx-users] double processor run jozef hritz
OT: [gmx-users] Scary news about the SSSCA... Erik Lindahl
[gmx-users] double processor run Erik Lindahl
[gmx-users] Calculation of the SAS David van der Spoel
[gmx-users] Scary news about the SSSCA... Patrick Ladam
[gmx-users] ASCII Atom News
[gmx-users] double precision hugo verli
[gmx-users] double precision Erik Lindahl
[gmx-users] [Fwd: bug fix in configure for SGI R12000] Anton Feenstra
[gmx-users] charged proteins Jocelyne Vreede
[gmx-users] charged proteins jozef hritz
[gmx-users] ASCII David van der Spoel
[gmx-users] double precision hugo verli
[gmx-users] double precision Anton Feenstra
[gmx-users] bond w.j.schravendijk at students.pharm.uu.nl
[gmx-users] double precision hugo verli
[gmx-users] pdb2gmx w.j.schravendijk at students.pharm.uu.nl
[gmx-users] bond jozef hritz
[gmx-users] charged proteins David L. Bostick
[gmx-users] bond David L. Bostick
[gmx-users] charged proteins Berk Hess
[gmx-users] bond Berk Hess
[gmx-users] 3.1 with mpi on an IBM SP David L. Bostick
[gmx-users] 3.1 with mpi on an IBM SP David L. Bostick
[gmx-users] charged proteins David van der Spoel
[gmx-users] double precision Erik Lindahl
[gmx-users] Compiling GMX with MPICH. Erik Lindahl
[gmx-users] charged proteins Alan Wilter Sousa da Silva
[gmx-users] Configuration on SGI systems Erik Lindahl
[gmx-users] charged proteins Alan Wilter Sousa da Silva
[gmx-users] compiler warnings on IBM SP David L. Bostick
[gmx-users] compiler warnings on IBM SP Erik Lindahl
[gmx-users] Compiling GMX with MPICH. Alan Wilter Sousa da Silva
[gmx-users] double precision hugo verli
[gmx-users] compiler warnings on IBM SP David L. Bostick
[gmx-users] problems with MPI giorgio colombo
[gmx-users] Binaries and HOWTO sections on gromacs.org now... Erik Lindahl
[gmx-users] problems with MPI David van der Spoel
[gmx-users] charged proteins David van der Spoel
[gmx-users] problems with MPI colombo at ico.mi.cnr.it
[gmx-users] Brownian and Langevin Dynamics Marc Baaden
[gmx-users] chemical shift and dipolar YUJIE WU
[gmx-users] charged proteins Berk Hess
[gmx-users] chemical shift and dipolar Berk Hess
[gmx-users] charged proteins Berk Hess
[gmx-users] Brownian and Langevin Dynamics Berk Hess
[gmx-users] charged proteins Marc Baaden
[gmx-users] Implicit solvent Marc Baaden
[gmx-users] chemical shift and dipolar David van der Spoel
[gmx-users] charged proteins David van der Spoel
[gmx-users] Problems running in paralell on IBM SP David L. Bostick
[gmx-users] Proper Dih. multiplicity jozef hritz
[gmx-users] genion Pedro Alexandre de Araujo Gomes Lapido Loureiro
[gmx-users] charged proteins Alan Wilter Sousa da Silva
[gmx-users] .edr files Pedro Alexandre de Araujo Gomes Lapido Loureiro
[gmx-users] (no subject) hugo verli
[gmx-users] atomic charges T. Zaraiskaya
[gmx-users] genion II Pedro Alexandre de Araujo Gomes Lapido Loureiro
[gmx-users] genion II Erik Lindahl
[gmx-users] atomic charges Erik Lindahl
[gmx-users] .edr files David van der Spoel
[gmx-users] Proper Dih. multiplicity David van der Spoel
[gmx-users] genion II Erik Lindahl
[gmx-users] pme/cutoff in membrane proteins Peter Tieleman
[gmx-users] pme/cutoff in membrane proteins Periole Xavier
[gmx-users] one more pme Peter Tieleman
[gmx-users] pme/cutoff in membrane proteins Erik Lindahl
[gmx-users] Problems running in paralell on IBM SP Erik Lindahl
[gmx-users] one more pme David van der Spoel
[gmx-users] Problems running in paralell on IBM SP David L. Bostick
[gmx-users] (no subject) Atom News
[gmx-users] (no subject) Atom News
[gmx-users] Problems running in paralell on IBM SP Erik Lindahl
[gmx-users] (no subject) Erik Lindahl
[gmx-users] (no subject) Atom News
[gmx-users] (no subject) Atom News
[gmx-users] (no subject) w.j.schravendijk at students.pharm.uu.nl
[gmx-users] (no subject) David van der Spoel
[gmx-users] floating exceptions Lynne E. Bilston
[gmx-users] Charged systems with periodic boundary conditions (references) Markus O Kaukonen
[gmx-users] PSI Atom News
[gmx-users] genion II Anton Feenstra
[gmx-users] pdb2gmx Anton Feenstra
[gmx-users] pdb2gmx w.j.schravendijk at students.pharm.uu.nl
[gmx-users] pdb2gmx Anton Feenstra
[gmx-users] termini data base Y. U. Sasidhar
[gmx-users] PSI David van der Spoel
[gmx-users] Re: termini database Y U Sasidhar
[gmx-users] Re: termini database Anton Feenstra
[gmx-users] floating exceptions David van der Spoel
[gmx-users] termini data base David van der Spoel
[gmx-users] GROMACS (fwd) David van der Spoel
[gmx-users] Source? Peter Ahlström
[gmx-users] Source? Erik Lindahl
[gmx-users] Source? David van der Spoel
[gmx-users] floating exceptions in g_energy (v3.1) Lynne E. Bilston
[gmx-users] floating exceptions in g_energy (v3.1) Erik Lindahl
[gmx-users] Problem with Prdrg with NR5 xmluo
[gmx-users] floating exceptions in g_energy (v3.1) Bert de Groot
[gmx-users] Problem with Prdrg with NR5 Anton Feenstra
[gmx-users] About pKa calculations and dipoles Markus O Kaukonen
[gmx-users] gromacs3.1 rpm Andrei Neamtu
[gmx-users] Lennard-Jones parameters for manganese (Mn2+) ions Lieven Buts
[gmx-users] gromacs3.1 rpm David van der Spoel
[gmx-users] freezegroups and pressure Bert de Groot
[gmx-users] freezegroups and pressure Berk Hess
[gmx-users] gromacs3.1 rpm Erik Lindahl
[gmx-users] Lennard-Jones parameters for manganese (Mn2+) ions David van der Spoel
[gmx-users] freezegroups and pressure David van der Spoel
[gmx-users] About pKa calculations and dipoles David van der Spoel
[gmx-users] NMR Refinement Patrick Ladam
[gmx-users] NMR Refinement David van der Spoel
[gmx-users] floating exceptions in g_energy (v3.1) Lynne E. Bilston
[gmx-users] floating exceptions in g_energy (v3.1) Lynne E. Bilston
[gmx-users] Help wanted! Erik Lindahl
[gmx-users] Problem with Prdrg with NR5 Daan van Aalten
[gmx-users] Help wanted! david luo
[gmx-users] gromacs3.1 rpm Michel Fodje
[gmx-users] floating exceptions in g_energy (v3.1) David van der Spoel
[gmx-users] Topology utilities ? Marc Baaden
[gmx-users] Topology utilities ? Marc Baaden
[gmx-users] Topology utilities ? Daan van Aalten
[gmx-users] Re: debug from floating exceptions in g_energy (v3.1) Lynne E. Bilston
[gmx-users] Re: OPLS Nguyen Hoang Phuong
[gmx-users] Re: debug from floating exceptions in g_energy (v3.1) David van der Spoel
[gmx-users] Re: OPLS David van der Spoel
[gmx-users] Re: OPLS Erik Lindahl
[gmx-users] NMR refinement on Nucl. Acids... David van der Spoel
[gmx-users] position restraints hugo verli
[gmx-users] Analyzing several distances at a time ? Marc Baaden
[gmx-users] position restraints David L. Bostick
[gmx-users] Analyzing several distances at a time ? David van der Spoel
[gmx-users] position restraints David van der Spoel
[gmx-users] epsilon_r question Rui Qiao
[gmx-users] epsilon_r question David van der Spoel
[gmx-users] Re: debug from floating exceptions in g_energy (v3.1) Lynne E. Bilston
[gmx-users] NMR refinement on Nucl. Acids... Patrick Ladam
[gmx-users] distance restraints Bernd Rupp
[gmx-users] Problem with Prdrg with NR5 Anton Feenstra
[gmx-users] Error in mdrun: can't fix pbc K.Bettinger at Dkfz-Heidelberg.de
[gmx-users] (no subject) nesanfor at criba.edu.ar
[gmx-users] xtal-water nesanfor at criba.edu.ar
[gmx-users] fourier spacing Rui Qiao
[gmx-users] disres_weighting (fwd) David van der Spoel
[gmx-users] fourier spacing Erik Lindahl
[gmx-users] xtal-water nesanfor at criba.edu.ar
[gmx-users] xtal-water David van der Spoel
[gmx-users] xtal-water David van der Spoel
[gmx-users] Re: xtal-water David van der Spoel
[gmx-users] Re: your mail Anton Feenstra
[gmx-users] Re: your mail David van der Spoel
[gmx-users] rdf between com of molecules hagop demirdjian
[gmx-users] rdf between com of molecules Anton Feenstra
[gmx-users] rdf between com of molecules David van der Spoel
[gmx-users] Parameterfile: Unknown left-hand... Mehmet Suezen
[gmx-users] Parameterfile: Unknown left-hand... Erik Lindahl
[gmx-users] Parameterfile: Unknown left-hand... David van der Spoel
[gmx-users] fluorine parameters in GROMACS Makoto Yoneya
[gmx-users] fluorine parameters in GROMACS Erik Lindahl
[gmx-users] Parameterfile: Unknown left-hand... Mehmet Suezen
[gmx-users] octane Anton Feenstra
[gmx-users] fluorine parameters in GROMACS David van der Spoel
[gmx-users] octane David van der Spoel
[gmx-users] MPI termination David L. Bostick
[gmx-users] octane Erik Lindahl
[gmx-users] MPI termination Erik Lindahl
[gmx-users] make error on Compaq XP1000 (TruUnix64) Y. U. Sasidhar
[gmx-users] distance Atom News
[gmx-users] distance Mehmet Suezen
[gmx-users] (no subject) Atom News
[gmx-users] distance David van der Spoel
[gmx-users] using genion... Giorgos Karvounis
[gmx-users] (no subject) David van der Spoel
[gmx-users] make error on Compaq XP1000 (TruUnix64) Erik Lindahl
[gmx-users] using genion... David van der Spoel
[gmx-users] distance Anton Feenstra
[gmx-users] Problem with Genion Olesya Ivanova
[gmx-users] Too many iterations in routine JACOBI Mehmet Suezen
[gmx-users] Problem with genion Olesya Ivanova
[gmx-users] Problem with genion David van der Spoel
[gmx-users] Too many iterations in routine JACOBI David van der Spoel
[gmx-users] Movie from dynamics jozef hritz
[gmx-users] Movie from dynamics David L. Bostick
[gmx-users] dipole orientation analysis Rui Qiao
[gmx-users] Protoporphyrin parameters & PRODRG Michel Fodje
[gmx-users] about minimization hugo verli
[gmx-users] dipole orientation analysis David van der Spoel
[gmx-users] about minimization David van der Spoel
[gmx-users] Protoporphyrin parameters & PRODRG David van der Spoel
[gmx-users] triclinic box T. Zaraiskaya
[gmx-users] triclinic box Anton Feenstra
[gmx-users] about minimization Anton Feenstra
[gmx-users] triclinic box David van der Spoel
[gmx-users] dipole corrections to PME David van der Spoel
[gmx-users] OPLS Nguyen Hoang Phuong
[gmx-users] about minimization Anton Feenstra
[gmx-users] pull code Erik Wensink
[gmx-users] about minimization Alan Wilter Sousa da Silva
[gmx-users] about minimization Alan Wilter Sousa da Silva
[gmx-users] (no subject) Nguyen Hoang Phuong
[gmx-users] maximum number of atoms hugo verli
[gmx-users] about minimization David van der Spoel
[gmx-users] maximum number of atoms Erik Lindahl
[gmx-users] Diffusion Nguyen Hoang Phuong
[gmx-users] (no subject) David van der Spoel
[gmx-users] Diffusion David van der Spoel
[gmx-users] Non-zero charged system Tivadar Orban
[gmx-users] Non-zero charged system Erik Lindahl
[gmx-users] Non-zero charged system Tivadar Orban
[gmx-users] Re: gmx-users digest, Vol 1 #183 - 12 msgs Justin MacCallum
[gmx-users] pentium III vs Pentium IVs Lynne E. Bilston
[gmx-users] pentium III vs Pentium IVs Erik Lindahl
[gmx-users] timestep Rainer Boeckmann
[gmx-users] pentium III vs Pentium IVs Bert de Groot
[gmx-users] timestep (2) Rainer Boeckmann
[gmx-users] (no subject) Mikko Huhtala
[gmx-users] timestep Mehmet Suezen
[gmx-users] pentium III vs Pentium IVs David van der Spoel
[gmx-users] timestep Rainer Boeckmann
[gmx-users] timestep Mehmet Suezen
[gmx-users] timestep Mehmet Suezen
[gmx-users] timestep Rainer Boeckmann
[gmx-users] Spherical orientational distribution function Peter Fojan
[gmx-users] timestep David L. Bostick
[gmx-users] timestep Anton Feenstra
[gmx-users] coordinate frame Atom News
[gmx-users] timestep David van der Spoel
[gmx-users] Intel compilers Erik Lindahl
[gmx-users] timestep Erik Lindahl
[gmx-users] pentium III vs Pentium IVs Alan Wilter Sousa da Silva
[gmx-users] Spherical orientational distribution function David van der Spoel
[gmx-users] Intel compilers Erik Lindahl
[gmx-users] timestep David van der Spoel
[gmx-users] timestep David van der Spoel
[gmx-users] coordinate frame David van der Spoel
[gmx-users] Intel compilers Alan Wilter Sousa da Silva
[gmx-users] Non-periodic Boundary conditions Senthil Kandasamy
[gmx-users] Non-periodic Boundary conditions David van der Spoel
[gmx-users] pentium III vs Pentium IVs and Intel compiler benchmarks mark vaughn
[gmx-users] pentium III vs Pentium IVs and Intel compiler benchmarks Erik Lindahl
[gmx-users] P4 vs P3 performance ? Special compilation options ? Marc Baaden
[gmx-users] problem with DNA-PROTEIN system platon
[gmx-users] P4 vs P3 performance ? Special compilation options ? Marc Baaden
[gmx-users] (no subject) Berk Hess
[gmx-users] problem with DNA-PROTEIN system Mehmet Suezen
[gmx-users] P4 vs P3 performance ? Special compilation options ? Erik Lindahl
[gmx-users] P4 vs P3 performance ? Special compilation options ? David van der Spoel
[gmx-users] P4 vs P3 performance ? Special compilation options ? David van der Spoel
[gmx-users] Running energy minimization with ga Adriano V. Werhli
[gmx-users] pentium III vs Pentium IVs and Intel compiler benchmarks Lynne E. Bilston
[gmx-users] Non-zero charged system Tivadar Orban
[gmx-users] Non-zero charged system David van der Spoel
[gmx-users] Remark about PME and anisotropic P-coupling Marc Baaden
[gmx-users] Non-zero charged system Tivadar Orban
[gmx-users] Non-zero charged system Alan Wilter Sousa da Silva
[gmx-users] GC and Constraints - What to conclude? Alan Wilter Sousa da Silva
[gmx-users] NM analysis Oleg Katchanov
[gmx-users] NM analysis Bert de Groot
[gmx-users] GC and Constraints - What to conclude? Berk Hess
[gmx-users] Non-bonded parameters in Gromacs Marc Baaden
[gmx-users] SPC vs tip3p for water Senthil Kandasamy
[gmx-users] GROMACS on the NCSA SGI Origin 2000 Senthil Kandasamy
[gmx-users] SPC vs tip3p for water Erik Lindahl
[gmx-users] SPC vs tip3p for water David van der Spoel
[gmx-users] incorporating itp files Senthil Kandasamy
[gmx-users] GROMACS on the NCSA SGI Origin 2000 David van der Spoel
[gmx-users] incorporating itp files David van der Spoel
[gmx-users] grompp error Senthil Kandasamy
[gmx-users] Error with grompp for EM Valentin Gogonea
[gmx-users] Error with grompp for EM Erik Lindahl
[gmx-users] grompp error David van der Spoel
[gmx-users] Non-bonded parameters in Gromacs Anton Feenstra
[gmx-users] incorporating itp files Anton Feenstra
[gmx-users] grompp error Anton Feenstra
[gmx-users] How to increase the priority of mdrun? Xiaomin luo
[gmx-users] Non-integral nb of d.o.f. ? Marc Baaden
[gmx-users] How to increase the priority of mdrun? David van der Spoel
[gmx-users] Non-integral nb of d.o.f. ? David van der Spoel
[gmx-users] installation trouble with mpi support Senthil Kandasamy
[gmx-users] NM analysis Oleg Katchanov
[gmx-users] Gromacs 3.1.1 on Mac OSX, no problems anymore :-) nicolis at guideo.fr
[gmx-users] Normal mode analysis Valentin Gogonea
[gmx-users] installation trouble with mpi support Justin MacCallum
[gmx-users] installation trouble with mpi support Erik Lindahl
[gmx-users] installation trouble with mpi support Senthil Kandasamy

Last message date: Sat Mar 30 16:49:17 CET 2002
Archived on: Thu Nov 14 11:59:32 CET 2013

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