April 2007 Archives by date

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Starting: Sun Apr 1 04:31:42 CEST 2007
Ending: Mon Apr 30 11:45:59 CEST 2007
Messages: 437

[gmx-users] Running GROMACS in PBS Mark Abraham
[gmx-users] Missing LJ interaction Mark Abraham
[gmx-users] Re: bug in ffoplsaanb.itp? David Mobley
[gmx-users] Missing LJ interaction Steve Fiedler
[gmx-users] Missing LJ interaction David van der Spoel
[gmx-users] query about making a pdb file Eric Jakobsson
[gmx-users] about toplogy file amit jain
[gmx-users] PRODRUG itp-file is not understood by grompp Anastassia Alexandrova
[gmx-users] topology doesnt match Robert Selwyne
[gmx-users] positive 1-4 energy sum merc mertens
[gmx-users] Running GROMACS in PBS Triguero, Luciano O
[gmx-users] positive 1-4 energy sum David van der Spoel
[gmx-users] topology doesnt match Triguero, Luciano O
[gmx-users] topology doesnt match Mark Abraham
[gmx-users] Running GROMACS in PBS Mark Abraham
[gmx-users] Running GROMACS in PBS Florian Haberl
[gmx-users] compare simulations between wt and mutate protein spitaleri.andrea at hsr.it
[gmx-users] compare simulations between wt and mutate protein Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] ordered all-to-all patch chris.neale at utoronto.ca
[gmx-users] compare simulations between wt and mutate protein Tsjerk Wassenaar
[gmx-users] compare simulations between wt and mutate protein Nguyen Hoang Phuong
[gmx-users] ordered all-to-all patch Carsten Kutzner
[gmx-users] ordered all-to-all patch Chris Neale
[gmx-users] Missing LJ interaction Steve Fiedler
[gmx-users] ordered all-to-all patch Marc F. Lensink
[gmx-users] ordered all-to-all patch Carsten Kutzner
[gmx-users] ordered all-to-all patch Chris Neale
[gmx-users] re: g_rms v. g_rmsdist Gleb Solomentsev
[gmx-users] background charge baloilgiullare at interfree.it
[gmx-users] re: g_rms v. g_rmsdist Tsjerk Wassenaar
[gmx-users] request for patch and test program from 'Speeding up Parallel GROMACS' David Konerding
[gmx-users] Compile Gromacs for Blue Gene/L Mike Hanby
[gmx-users] pairs types for decoupling David Mobley
[gmx-users] Compile Gromacs for Blue Gene/L Yang Ye
[gmx-users] request for patch and test program from 'Speeding up Parallel GROMACS' Carsten Kutzner
[gmx-users] pairs types for decoupling Berk Hess
[gmx-users] background charge Berk Hess
[gmx-users] error in .trr files Rakesh Mishra
[gmx-users] error in .trr files Mark Abraham
[gmx-users] other output format of Matrix Data than xpm format Florian Haberl
[gmx-users] other output format of Matrix Data than xpm format Berk Hess
[gmx-users] other output format of Matrix Data than xpm format Ran Friedman
[gmx-users] GROMACS 3.3.1 Parallel Run Sunny
[gmx-users] GROMACS 3.3.1 Parallel Run Mark Abraham
[gmx-users] protein membrane simulation maite lopez
[gmx-users] protein membrane simulation Viswanadham Sridhara
[gmx-users] protein membrane simulation David van der Spoel
[gmx-users] protein membrane simulation Chris Neale
[gmx-users] other output format of Matrix Data than xpm format Tsjerk Wassenaar
[gmx-users] protein membrane simulation Tsjerk Wassenaar
[gmx-users] other output format of Matrix Data than xpm format Tsjerk Wassenaar
[gmx-users] electrostatic and vdw energies from snapshots merc mertens
[gmx-users] electrostatic and vdw energies from snapshots Tsjerk Wassenaar
[gmx-users] electrostatic and vdw energies from snapshots merc mertens
[gmx-users] Re: electrostatic and vdw energies from snapshots Mauricio Pablo Sica
[gmx-users] Prot_prep_problem pkmukher
[gmx-users] Prot_prep_problem David van der Spoel
[gmx-users] hessian_matrix_from_ordered_trajectory Sang-Min Park
[gmx-users] protein membrane simulation maite lopez
[gmx-users] modify C6 directly in FF using sigma and epsilon David Mobley
[gmx-users] protein membrane simulation Tsjerk Wassenaar
[gmx-users] modify C6 directly in FF using sigma and epsilon Ryogo Sugitani
[gmx-users] modify C6 directly in FF using sigma and epsilon David van der Spoel
[gmx-users] modify C6 directly in FF using sigma and epsilon David Mobley
[gmx-users] modify C6 directly in FF using sigma and epsilon Ryogo Sugitani
[gmx-users] hessian_matrix_from_ordered_trajectory Tsjerk Wassenaar
[gmx-users] Blue Gene compilation error "cannot compute sizeof (int) 77 Mike Hanby
[gmx-users] modify C6 directly in FF using sigma and epsilon David van der Spoel
[gmx-users] hessian_matrix_from_ordered_trajectory H.J.Risselada
[gmx-users] modify C6 directly in FF using sigma and epsilon David van der Spoel
[gmx-users] DPPC bilayer simulation crash Michael Skaug
[gmx-users] modify C6 directly in FF using sigma and epsilon David Mobley
[gmx-users] protein membrane simulation maite lopez
[gmx-users] modify C6 directly in FF using sigma and epsilon Mu Yuguang (Dr)
[gmx-users] modify C6 directly in FF using sigma and epsilon Mu Yuguang (Dr)
[gmx-users] Can you help me ? job560 at sohu.com
[gmx-users] Can you help me ? Mu Yuguang (Dr)
[gmx-users] Can you help me ? Mark Abraham
[gmx-users] DPPC bilayer simulation crash Mark Abraham
[gmx-users] Re: please help me Mark Abraham
[gmx-users] Blue Gene compilation error "cannot compute sizeof (int) 77 David van der Spoel
[gmx-users] protein membrane simulation Tsjerk Wassenaar
[gmx-users] Can you help me ? Yang Ye
[gmx-users] DPPC bilayer simulation crash Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] modify C6 directly in FF using sigma and epsilon David Mobley
[gmx-users] Compile Gromacs for Blue Gene/L Eric Jakobsson
[gmx-users] Using ffgmx and ffG43a1 topologies Venky Krishna
[gmx-users] Compile Gromacs for Blue Gene/L David van der Spoel
[gmx-users] Using ffgmx and ffG43a1 topologies Tsjerk Wassenaar
[gmx-users] Re: Can you help me ? (Yang Ye) Mauricio Pablo Sica
[gmx-users] Query regarding PDB2gmx Jagannath Mondal
[gmx-users] benchmarking results vipin sachdeva
[gmx-users] Query regarding PDB2gmx David van der Spoel
[gmx-users] benchmarking results David van der Spoel
[gmx-users] Permissions Problems with a New Installation Stephen P. Molnar, Ph.D.
[gmx-users] Permissions Problems with a New Installation David van der Spoel
[gmx-users] Compile Gromacs for Blue Gene/L Eric Jakobsson
[gmx-users] (no subject) 黄永棋
[gmx-users] (no subject) Mark Abraham
[gmx-users] query regarding topology file Jagannath Mondal
[gmx-users] query regarding topology file Mark Abraham
[gmx-users] slight mistake in data angdist.xvg file Rongliang Wu
[gmx-users] how to submit replica exchange MD simulation N-J.M. Macaluso
[gmx-users] how to submit replica exchange MD simulation David van der Spoel
[gmx-users] benchmark numbers vipin sachdeva
[gmx-users] gromos Ashish Gupta
[gmx-users] benchmark numbers David van der Spoel
[gmx-users] gromos David van der Spoel
[gmx-users] benchmark numbers vipin sachdeva
[gmx-users] benchmark numbers vipin sachdeva
[gmx-users] benchmark numbers David van der Spoel
[gmx-users] benchmark numbers vipin sachdeva
[gmx-users] benchmark numbers David van der Spoel
[gmx-users] internal consistency warning in grompp not repeated at end of stderr output Chris Neale
[gmx-users] MD simulation of 2 molecules in a system Alif M Latif
[gmx-users] internal consistency warning in grompp not repeated at end of stderr output David van der Spoel
[gmx-users] MD simulation of 2 molecules in a system David van der Spoel
[gmx-users] MD simulation of 2 molecules in a system Mark Abraham
[gmx-users] g_energy mahbubeh zarrabi
[gmx-users] g_energy David van der Spoel
[gmx-users] Compile Gromacs for Blue Gene/L Erik Lindahl
[gmx-users] energy mahbubeh zarrabi
[gmx-users] energy David van der Spoel
[gmx-users] calculating properties of polyaromatics using gromacs Fredrik Blomgren
[gmx-users] calculating properties of polyaromatics using gromacs Tsjerk Wassenaar
[gmx-users] internal consistency warning in grompp not repeated at end of stderr output Chris Neale
[gmx-users] small molecules simulation root
[gmx-users] Woodcrest results vipin sachdeva
[gmx-users] Woodcrest results David van der Spoel
[gmx-users] small molecules simulation Mark Abraham
[gmx-users] Woodcrest results vipin sachdeva
[gmx-users] Woodcrest results David van der Spoel
[gmx-users] Woodcrest results vipin sachdeva
[gmx-users] Running multiple kernels Justin M. Shorb
[gmx-users] --enable-threads fails. vipin sachdeva
[gmx-users] --enable-threads fails. David van der Spoel
[gmx-users] --enable-threads fails. Erik Lindahl
[gmx-users] Running multiple kernels Erik Lindahl
[gmx-users] --enable-threads fails. vipin sachdeva
[gmx-users] BHIS for HIS? Rongliang Wu
[gmx-users] small molecules simulation Tsjerk Wassenaar
[gmx-users] BHIS for HIS? Tsjerk Wassenaar
[gmx-users] total simulation time for proteins in general Priya Chandran
[gmx-users] total simulation time for proteins in general Mark Abraham
[gmx-users] --enable-threads fails. Erik Lindahl
[gmx-users] BHIS for HIS? Erik Lindahl
[gmx-users] total simulation time for proteins in general Erik Lindahl
[gmx-users] energy minimization error 李睿
[gmx-users] question about the total-energy of energy minimization Qiao Baofu
[gmx-users] energy minimization error Yang Ye
[gmx-users] overcome the integration problem (installing CVS) Dr Itamar Kass
[gmx-users] overcome the integration problem (installing CVS) Yang Ye
[gmx-users] overcome the integration problem (installing CVS) David van der Spoel
[gmx-users] question about the total-energy of energy minimization Mark Abraham
[gmx-users] Hi all ann rose
[gmx-users] overcome the integration problem (installing CVS) Berk Hess
[gmx-users] Hi all Mark Abraham
[gmx-users] Prot_prep_problem pkmukher
[gmx-users] Prot_prep_problem andrea spitaleri
[gmx-users] Prot_prep_problem andrea spitaleri
[gmx-users] Prot_prep_query pkmukher
[gmx-users] overcome the integration problem (installing CVS) Michael Shirts
[gmx-users] overcome the integration problem (installing CVS) David van der Spoel
[gmx-users] overcome the integration problem (installing CVS) Berk Hess
[gmx-users] Prot_prep_query Tsjerk Wassenaar
[gmx-users] Re:overcome the integration problem (installing CVS) Michael Shirts
[gmx-users] soft-core potential in combination with PME (sorry, again) Jeroen van Bemmelen
[gmx-users] wall_atomtype Manuel Valera
[gmx-users] Prot_prep_query pkmukher
[gmx-users] Ligand_charges pkmukher
[gmx-users] Ligand_charges David van der Spoel
[gmx-users] soft-core potential in combination with PME (sorry, again) Berk Hess
[gmx-users] wall_atomtype Berk Hess
[gmx-users] soft-core potential in combination with PME (sorry, again) Jeroen van Bemmelen
[gmx-users] soft-core potential in combination with PME (sorry, again) Berk Hess
[gmx-users] Force Field Problem selent at gmx.de
[gmx-users] how to submit replica exchange MD simulation N-J.M. Macaluso
[gmx-users] Warning: 1-4 interaction Joern Lenz
[gmx-users] Fwd: Warning: 1-4 interaction Joern Lenz
[gmx-users] Fwd: Warning: 1-4 interaction Mark Abraham
[gmx-users] Re: Ligand_charges pkmukher
[gmx-users] query regarding a topology file Jagannath Mondal
[gmx-users] Re: Ligand_charges Mark Abraham
[gmx-users] soft-core potential in combination with PME Jeroen van Bemmelen
[gmx-users] what are the options for implicit solvent in Gromacs? Jagannath Mondal
[gmx-users] what are the options for implicit solvent in Gromacs? David van der Spoel
[gmx-users] what are the options for implicit solvent in Gromacs? Jagannath Mondal
[gmx-users] what are the options for implicit solvent in Gromacs? Mark Abraham
[gmx-users] query regarding a topology file Dallas B. Warren
[gmx-users] query regarding a topology file Jagannath Mondal
[gmx-users] simulate a substrate-bound enzyme Rui Li
[gmx-users] ED analysis: help on cosine content and overlap of the fluctuations Caterina Arcangeli
[gmx-users] ED analysis: help on cosine content and overlap of the fluctuations Alan Dodd
[gmx-users] ED analysis: help on cosine content and overlap of the fluctuations Caterina Arcangeli
[gmx-users] ED analysis: help on cosine content and overlap of the fluctuations Ran Friedman
[gmx-users] Re: simulate a substrate-bound enzyme Mauricio Pablo Sica
[gmx-users] ED analysis: help on cosine content and overlap ofthe fluctuatio Berk Hess
[gmx-users] Re:overcome the integration problem (installing CVS) Berk Hess
[gmx-users] Re: simulate a substrate-bound enzyme Rui Li
[gmx-users] Re: Ligand_charges David Mobley
[gmx-users] soft-core potential in combination with PME (sorry, again) David Mobley
[gmx-users] soft-core potential in combination with PME (sorry, again) Berk Hess
[gmx-users] query regarding a topology file Tsjerk Wassenaar
[gmx-users] Re: simulate a substrate-bound enzyme Mark Abraham
[gmx-users] Re:Re:Re: simulate a substrate-bound enzyme Mauricio Pablo Sica
[gmx-users] [Fwd: g_sas in GROMACS] David van der Spoel
[gmx-users] [Fwd: g_sas in GROMACS] David van der Spoel
[gmx-users] lambda özge kül
[gmx-users] lambda Mark Abraham
[gmx-users] protein constrained, ligand ot constrained mollica.luca at hsr.it
[gmx-users] QM/MM investigate phosphorylation/dephosphorylation in kinase Qiang Zhong
[gmx-users] Re: conserved quantity Michael Shirts
[gmx-users] protein constrained, ligand ot constrained Lars.Schaefer at mpi-bpc.mpg.de
[gmx-users] Fatal error: Protein_A gbastian at pasteur.fr
[gmx-users] Fatal error: Protein_A gbastian at pasteur.fr
[gmx-users] Fatal error: Protein_A David van der Spoel
[gmx-users] Fatal error: Protein_A leafyoung81-group at yahoo.com
[gmx-users] Fatal error: Protein_A Tsjerk Wassenaar
[gmx-users] on NVE and pressure lorix
[gmx-users] on NVE and pressure Berk Hess
[gmx-users] on NVE and pressure H.J.Risselada
[gmx-users] on NVE and pressure lorix
[gmx-users] Large VCM problems Dechang Li
[gmx-users] on NVE and pressure Berk Hess
[gmx-users] ED analysis: help on cosine content and overlap of the fluctuatio Caterina Arcangeli
[gmx-users] on NVE and pressure lorix
[gmx-users] on NVE and pressure andrew stelzer
[gmx-users] it may b a bug.....i dont know uma reddy
[gmx-users] it may b a bug.....i dont know Justin Lemkul
[gmx-users] it may b a bug.....i dont know Mark Abraham
[gmx-users] Please help me! double precision of gromacs ! job560 at sohu.com
[gmx-users] Please help me! double precision of gromacs ! Dallas B. Warren
[gmx-users] Please help me! double precision of gromacs ! Mark Abraham
[gmx-users] Self-Assembly Method Alif M Latif
[gmx-users] Self-Assembly Method David van der Spoel
[gmx-users] Release of the R.E.D.-III tools FyD
[gmx-users] UNABLE TO GENERATE TOPOLOGY Subhrangshu Supakar
[gmx-users] UNABLE TO GENERATE TOPOLOGY Robert Selwyne
[gmx-users] UNABLE TO GENERATE TOPOLOGY Tsjerk Wassenaar
[gmx-users] on NVE and pressure Berk Hess
[gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version Luca Ferraro
[gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version Erik Lindahl
[gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version Florian Haberl
[gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version David van der Spoel
[gmx-users] soft-core potential in combination with PME Jeroen van Bemmelen
[gmx-users] Changing cos_acceleration toma0052
[gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups Joern Lenz
[gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups David van der Spoel
[gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version Luca Ferraro
[gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups Erik Marklund
[gmx-users] time step size and non bond constraint kanin wichapong
[gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infinib Berk Hess
[gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version David van der Spoel
[gmx-users] time step size and non bond constraint Mark Abraham
[gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups Mark Abraham
[gmx-users] Question about the dihedral potential .... Sergio Garay
[gmx-users] Question about the dihedral potential .... David van der Spoel
[gmx-users] Question about the dihedral potential .... Mark Abraham
[gmx-users] Why did it start from the very beginning??? liu xin
[gmx-users] Why did it start from the very beginning??? Mark Abraham
[gmx-users] Why did it start from the very beginning??? liu xin
[gmx-users] question energy Elias santos
[gmx-users] distance restraints for a pdb file? Robert Selwyne
[gmx-users] libXm.so.3 WILLIAM R WELCH
[gmx-users] distance restraints for a pdb file? David van der Spoel
[gmx-users] question energy David van der Spoel
[gmx-users] libXm.so.3 David van der Spoel
[gmx-users] Changing cos_acceleration David van der Spoel
[gmx-users] Location of files under Cygwin toma0052
[gmx-users] Location of files under Cygwin Mark Abraham
[gmx-users] Energy Minimization problem George Abadir
[gmx-users] Energy Minimization problem Venky Krishna
[gmx-users] Energy Minimization problem Erik Marklund
[gmx-users] Energetics in collision Janne Hirvi
[gmx-users] Energetics in collision Erik Marklund
[gmx-users] Re: Energetics in collision Janne Hirvi
[gmx-users] do_dssp crashes on certain machines.. pascal.baillod at epfl.ch
[gmx-users] do_dssp crashes on certain machines.. Mark Abraham
[gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations Robert Johnson
[gmx-users] do_dssp crashes on certain machines.. Florian Haberl
[gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations yuemin liu
[gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations Robert Johnson
[gmx-users] soft-core potential in combination with PME David Mobley
[gmx-users] Location of files under Cygwin toma0052
[gmx-users] Energy Minimization problem George Abadir
[gmx-users] OPLS-AA dihedral angles MURAT CETINKAYA
[gmx-users] Failed Energy Minimization Justin M. Shorb
[gmx-users] Energy Minimization problem Mark Abraham
[gmx-users] Location of files under Cygwin Mark Abraham
[gmx-users] OPLS-AA dihedral angles Mark Abraham
[gmx-users] Failed Energy Minimization Mark Abraham
[gmx-users] Re: Failed Energy Minimization Jennifer Rendell
[gmx-users] g_rmsf -res bug Marco Pasi
[gmx-users] Re: Re: Failed Energy Minimization Justin M. Shorb
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster martinez
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster Tsjerk Wassenaar
[gmx-users] Problem with trjconv Aline
[gmx-users] Problem with trjconv David van der Spoel
[gmx-users] Re: Re; Failed Energy Minimization (solved!) Justin M. Shorb
[gmx-users] Re: Re; Failed Energy Minimization (solved!) Erik Lindahl
[gmx-users] regarding DOPC lipid parameters naga raju
[gmx-users] about specbond.dat Rui Li
[gmx-users] about specbond.dat David van der Spoel
[gmx-users] regarding DOPC lipid parameters Tsjerk Wassenaar
[gmx-users] Re: regarding DOPC lipid parameters Chris Neale
[gmx-users] How to get topology file for OPLS Rui Li
[gmx-users] How to get topology file for OPLS Mark Abraham
[gmx-users] How to get topology file for OPLS Rui Li
[gmx-users] Problem with trjconv Aline Rossi
[gmx-users] DOPC lipid bilayer naga raju
[gmx-users] A special type of interaction Александр Журавлев
[gmx-users] about total charge Rui Li
[gmx-users] ffamber99p -- .hdb editing Stas Bobritsky
[gmx-users] about total charge Tsjerk Wassenaar
[gmx-users] about total charge Erik Marklund
[gmx-users] DOPC lipid bilayer Tsjerk Wassenaar
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster martinez
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster Tsjerk Wassenaar
[gmx-users] about T-Coupling groups Rui Li
[gmx-users] A special type of interaction David van der Spoel
[gmx-users] about T-Coupling groups David van der Spoel
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster martinez
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster Tsjerk Wassenaar
[gmx-users] about T-Coupling groups Mark Abraham
[gmx-users] ffamber99p -- .hdb editing Mark Abraham
[gmx-users] DOPC lipid bilayer Mark Abraham
[gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster martinez
[gmx-users] about T-Coupling groups Rui Li
[gmx-users] conversion of xtc to g87 (amber) format trajectory files/bounding box problem? Daniel Rigden
[gmx-users] GROMACS compilation problem Daniel Rigden
[gmx-users] GROMACS compilation problem Erik Lindahl
[gmx-users] GROMACS compilation problem Daniel Rigden
[gmx-users] GROMACS compilation problem Erik Lindahl
[gmx-users] GROMACS compilation problem David van der Spoel
[gmx-users] Re: DOPC lipid bilayer Chris Neale
[gmx-users] about T-Coupling groups Yang Ye
[gmx-users] ffamber99p -- .hdb editing Yang Ye
[gmx-users] ffamber99p -- .hdb editing Tsjerk Wassenaar
[gmx-users] How can I make commands non-interactive? Arthur Roberts
[gmx-users] How can I make commands non-interactive? David van der Spoel
[gmx-users] grompp error Triguero, Luciano O
[gmx-users] Segmentation Fault George Abadir
[gmx-users] Segmentation Fault Mark Abraham
[gmx-users] Segmentation Fault George Abadir
[gmx-users] solubility of PVME in TIP5P kitty ji
[gmx-users] grompp error Tsjerk Wassenaar
[gmx-users] Segmentation Fault Tsjerk Wassenaar
[gmx-users] solubility of PVME in TIP5P David van der Spoel
[gmx-users] starting a peptide bilayer simulation run nur avneet
[gmx-users] Infinite CNT Daniel Cheong
[gmx-users] starting a peptide bilayer simulation run Mark Abraham
[gmx-users] Infinite CNT David van der Spoel
[gmx-users] more on converting xtc to g87 Daniel Rigden
[gmx-users] Infinite CNT Daniel Cheong
[gmx-users] Infinite CNT David van der Spoel
[gmx-users] soft-core potential in combination with PME (sorry, again) Maik Goette
[gmx-users] Infinite CNT Daniel Cheong
[gmx-users] How can I make commands non-interactive? Erik Marklund
[gmx-users] Infinite CNT David van der Spoel
[gmx-users] Infinite CNT Daniel Cheong
[gmx-users] more on converting xtc to g87 Tsjerk Wassenaar
[gmx-users] invalid order for directive position restraints S O N A L I
[gmx-users] building lipid bilayer naga raju
[gmx-users] grompp error Triguero, Luciano O
[gmx-users] RMSD Dhananjay
[gmx-users] invalid order for directive position restraints David Mobley
[gmx-users] RMSD Robert Johnson
[gmx-users] system goes out of the water box bmmothan at ucalgary.ca
[gmx-users] system goes out of the water box Justin Lemkul
[gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error Venky Krishna
[gmx-users] re: building lipid bilayer chris.neale at utoronto.ca
[gmx-users] RMSD Florian Haberl
[gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error Tsjerk Wassenaar
[gmx-users] How to preserve the original sequence number Rui Li
[gmx-users] starting a simulation of a peptide lipid bilayer nur avneet
[gmx-users] Energy minimization: problems with ramachanrad score dimitry.a.suplatov
[gmx-users] starting a simulation of a peptide lipid bilayer Tsjerk Wassenaar
[gmx-users] Problem with trjconv Aline Rossi
[gmx-users] Problem with trjconv Tsjerk Wassenaar
[gmx-users] Energy minimization: problems with ramachanrad score marcos
[gmx-users] Meaning of n-n hydrogen bond chetana baliga
[gmx-users] gromacs -> amber trajectory conversion - resolution Daniel Rigden
[gmx-users] grompp problem: ERROR 12 [file "test.pdb.top", line 97]: atom MW4 (Res T4P-10) has mass 0 Joern Lenz
[gmx-users] Extracting a sub-trajectory quantrum75
[gmx-users] re: starting a simulation of a peptide lipid bilayer Chris Neale
[gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error Venky
[gmx-users] Extracting a sub-trajectory David van der Spoel
[gmx-users] Meaning of n-n hydrogen bond David van der Spoel
[gmx-users] Meaning of n-n hydrogen bond ksr at chemistry.umass.edu
[gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file Chris Neale
[gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error Tsjerk Wassenaar
[gmx-users] Meaning of n-n hydrogen bond David van der Spoel
[gmx-users] Meaning of n-n hydrogen bond ksr at chemistry.umass.edu
[gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error Venky Krishna
[gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file David Mobley
[gmx-users] system goes out of the water box Dallas B. Warren
[gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file Chris Neale
[gmx-users] Starting a simulation of a peptide lipid bilayer nur avneet
[gmx-users] Starting a simulation of a peptide lipid bilayer Tsjerk Wassenaar
[gmx-users] Re: request for dihedral PMF test system or complete alanine dipeptide topology file Vojtěch Spiwok
[gmx-users] To Tsjerk "Starting a simulation of a peptide lipid bilayer" nur avneet
[gmx-users] To Tsjerk "Starting a simulation of a peptide lipid bilayer" Tsjerk Wassenaar
[gmx-users] Starting a simulation of a peptide lipid bilayer Mark Abraham
[gmx-users] g_msd and Diffusion coefficient Yossi Tsfadia
[gmx-users] Starting a simulation of a peptide nur avneet
[gmx-users] Starting a simulation of a peptide Tsjerk Wassenaar
[gmx-users] rmdumbds problem Александр Журавлев
[gmx-users] rmdumbds problem David van der Spoel
[gmx-users] Installing GROMACS 3.3.1 under IBM Power5 systems Fiona Reid
[gmx-users] PVT-simulation Jiang ran
[gmx-users] PVT-simulation David van der Spoel
[gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file David Mobley
[gmx-users] Energy conservation in collision Janne Hirvi
[gmx-users] Starting a simulation of a peptide Mark Abraham
[gmx-users] new default value for emtol with gromacs 3.3 Jennifer Rendell
[gmx-users] Segmentation Fault George Abadir
[gmx-users] Request for dihedral PMF test system or complete alanine dipeptide topology file Chris Neale
[gmx-users] Request for dihedral PMF test system or complete alanine dipeptide topology file David Mobley
[gmx-users] Energy conservation in collision Berk Hess
[gmx-users] g_energy sum merc mertens
[gmx-users] fatal error özge kül
[gmx-users] g_energy sum Erik Lindahl
[gmx-users] g_energy sum Erik Lindahl
[gmx-users] g_energy sum merc mertens
[gmx-users] g_energy sum Erik Lindahl
[gmx-users] g_energy sum Berk Hess
[gmx-users] RE: Energy conservation in collision Janne Hirvi
[gmx-users] RE: Energy conservation in collision Berk Hess
[gmx-users] Torsional potential parametrization Jarvist Frost
[gmx-users] Torsional potential parametrization Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 36, Issue 75 jiqing
[gmx-users] Re: gmx-users Digest, Vol 36, Issue 76 jiqing
[gmx-users] Re: gmx-users Digest, Vol 36, Issue 76 Tsjerk Wassenaar
[gmx-users] Re: gmx-users Digest, Vol 36, Issue 76 Erik Lindahl
[gmx-users] g_energy sum merc mertens
[gmx-users] No such moleculetype FE Sonali
[gmx-users] No such moleculetype FE Venky

Last message date: Mon Apr 30 11:45:59 CEST 2007
Archived on: Thu Nov 14 12:03:35 CET 2013

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