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• 2013/08/19 Re: [gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand? massimo sandal
• 2013/08/19 Re: [gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand? Justin Lemkul
• 2013/08/19 Re: [gmx-users] Query regarding membrane-peptide simulation Justin Lemkul
• 2013/08/19 Re: [gmx-users] GPU version of Gromacs Justin Lemkul
• 2013/08/19 Re: [gmx-users] want to apply electric field in membrane system Justin Lemkul
• 2013/08/19 Re: [gmx-users] question Андрей Гончар
• 2013/08/19 Re: [gmx-users] question Андрей Гончар
• 2013/08/19 [gmx-users] question mjm136525
• 2013/08/19 Re: [gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand? massimo sandal
• 2013/08/19 [gmx-users] question mjm136525
• 2013/08/19 [gmx-users] Query regarding membrane-peptide simulation Aditya Padhi
• 2013/08/19 [gmx-users] Coordination number Venkat Reddy
• 2013/08/19 [gmx-users] GPU version of Gromacs grita
• 2013/08/19 [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/18 [gmx-users] Insertion Events balu
• 2013/08/18 [gmx-users] want to apply electric field in membrane system udels can
• 2013/08/18 Re: [gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand? Justin Lemkul
• 2013/08/18 [gmx-users] Convert CNS .top into a GROMACS .itp for a small ligand? massimo sandal
• 2013/08/18 Re: [gmx-users] generation of gro file Musharaf Ali
• 2013/08/18 Re: [gmx-users] itp problem Justin Lemkul
• 2013/08/18 Re: [gmx-users] generation of gro file Justin Lemkul
• 2013/08/17 [gmx-users] itp problem Albert
• 2013/08/17 Re: [gmx-users] generation of gro file Musharaf Ali
• 2013/08/17 Re: [gmx-users] Lennard jones energy Justin Lemkul
• 2013/08/17 [gmx-users] Lennard jones energy chinnu657
• 2013/08/17 Re: [gmx-users] generation of gro file Justin Lemkul
• 2013/08/17 Re: [gmx-users] generation of gro file Musharaf Ali
• 2013/08/17 [gmx-users] Problem in Gyrate analysis Sainitin Donakonda
• 2013/08/17 Re: [gmx-users] generation of gro file Justin Lemkul
• 2013/08/17 Re: [gmx-users] Regarding TCoupling and position restraints Justin Lemkul
• 2013/08/16 Re: [gmx-users] Regarding TCoupling and position restraints HANNIBAL LECTER
• 2013/08/16 [gmx-users] generation of gro file Musharaf Ali
• 2013/08/16 Re: [gmx-users] Regarding TCoupling and position restraints Justin Lemkul
• 2013/08/16 Re: [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? massimo sandal
• 2013/08/16 [gmx-users] Regarding TCoupling and position restraints HANNIBAL LECTER
• 2013/08/16 Re: [gmx-users] About Error in mdrun Justin Lemkul
• 2013/08/16 Re: [gmx-users] for help about reading xtc file Mark Abraham
• 2013/08/16 Re: [gmx-users] Re: Hai friends (balu) jkrieger
• 2013/08/16 [gmx-users] Re: Hai friends (balu) Muhammad Naqvi
• 2013/08/16 Re: [gmx-users] for help about reading xtc file Xu, Yechuan
• 2013/08/16 Re: [gmx-users] for help about reading xtc file Mark Abraham
• 2013/08/16 Re: [gmx-users] Hai friends massimo sandal
• 2013/08/16 Re: [gmx-users] for help about reading xtc file Xu, Yechuan
• 2013/08/16 [gmx-users] About Error in mdrun vidhya sankar
• 2013/08/16 [gmx-users] Hai friends balu
• 2013/08/16 [gmx-users] Restart REMD minwuh081
• 2013/08/16 Re: [gmx-users] Restart REMD Mark Abraham
• 2013/08/16 Re: [gmx-users] LINCS Constraints - all-bonds or h-bonds? Erik Marklund
• 2013/08/16 [gmx-users] Restart REMD Min Wu
• 2013/08/16 Re: [gmx-users] psf to tpr Dr. Vitaly Chaban
• 2013/08/16 Re: [gmx-users] psf to tpr Mark Abraham
• 2013/08/16 Re: [gmx-users] Re: Running g_tune_pme on a BlueGene/Q cluster Mark Abraham
• 2013/08/16 Re: [gmx-users] for help about reading xtc file Mark Abraham
• 2013/08/15 [gmx-users] psf to tpr Venkat Reddy
• 2013/08/15 [gmx-users] Re: Running g_tune_pme on a BlueGene/Q cluster Jernej Zidar
• 2013/08/15 Re: [gmx-users] Molecule removal by g_membed Justin Lemkul
• 2013/08/15 Re: [gmx-users] for help about reading xtc file Xu, Yechuan
• 2013/08/15 Re: [gmx-users] LINCS Constraints - all-bonds or h-bonds? Michael Shirts
• 2013/08/15 Re: [gmx-users] for help about reading xtc file Mark Abraham
• 2013/08/15 [gmx-users] Molecule removal by g_membed Bin Liu
• 2013/08/15 [gmx-users] for help about reading xtc file Xu, Yechuan
• 2013/08/15 Re: [gmx-users] Partial incompatibility of pdb2gmx with 4 character residue names? Joerg Sauter
• 2013/08/15 Re: [gmx-users] Partial incompatibility of pdb2gmx with 4 character residue names? Mark Abraham
• 2013/08/15 Re: [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? Richard Broadbent
• 2013/08/15 [gmx-users] Partial incompatibility of pdb2gmx with 4 character residue names? Joerg Sauter
• 2013/08/15 [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/15 [gmx-users] LINCS Constraints - all-bonds or h-bonds? Barnett, James W.
• 2013/08/15 Re: [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? Justin Lemkul
• 2013/08/15 [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/15 Re: [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? massimo sandal
• 2013/08/15 [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/15 Re: [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? Justin Lemkul
• 2013/08/15 [gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/15 Re: [gmx-users] what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? Justin Lemkul
• 2013/08/15 [gmx-users] what is sigma in gromacs? the radius of a sphere or the diameter of a sphere? grita
• 2013/08/15 Re: [gmx-users] Running g_tune_pme on a BlueGene/Q cluster Mark Abraham
• 2013/08/15 [gmx-users] Running g_tune_pme on a BlueGene/Q cluster Jernej Zidar
• 2013/08/15 Re: [gmx-users] GPU metadynamics Albert
• 2013/08/15 Re: [gmx-users] GPU metadynamics Jacopo Sgrignani
• 2013/08/15 [gmx-users] GPU metadynamics Albert
• 2013/08/15 Re: [gmx-users] plans for mdrun features to deprecate in GROMACS 5.0 Mark Abraham
• 2013/08/15 Re: [gmx-users] VDW switched off in CHARMM tip3p model Mark Abraham
• 2013/08/14 Re: [gmx-users] charmm36 proteins Dina Mirijanian
• 2013/08/14 [gmx-users] Re: VDW switched off in CHARMM tip3p model qiuxing
• 2013/08/14 Re: [gmx-users] "Sign convention" g_energy total energies Justin Lemkul
• 2013/08/14 [gmx-users] "Sign convention" g_energy total energies gg jj
• 2013/08/14 Re: [gmx-users] charmm36 proteins Justin Lemkul
• 2013/08/14 [gmx-users] charmm36 proteins Christopher Neale
• 2013/08/14 [gmx-users] VDW switched off in CHARMM tip3p model Christopher Neale
• 2013/08/14 Re: [gmx-users] plans for mdrun features to deprecate in GROMACS 5.0 rajat desikan
• 2013/08/14 [gmx-users] Re: All molecules being coupled for free energy of self solvation simulation Brittany Zimmerman
• 2013/08/14 [gmx-users] All molecules being coupled for free energy of self solvation simulation Brittany Zimmerman
• 2013/08/14 [gmx-users] charmm36 proteins Dina Mirijanian
• 2013/08/14 [gmx-users] plans for mdrun features to deprecate in GROMACS 5.0 Mark Abraham
• 2013/08/14 Re: [gmx-users] how can we control output ? Justin Lemkul
• 2013/08/14 Re: [gmx-users] Yet another question about what force field to use Justin Lemkul
• 2013/08/14 [gmx-users] how can we control output ? Albert
• 2013/08/14 Re: [gmx-users] Re: Unkwown Keyword HILLS Albert
• 2013/08/14 Re: [gmx-users] Re: Unkwown Keyword HILLS Michael Shirts
• 2013/08/14 Re: [gmx-users] Re: Unkwown Keyword HILLS Michael Shirts
• 2013/08/14 Re: [gmx-users] Lateral Diffusion of Lipids Jochen Hub
• 2013/08/13 [gmx-users] gromacs-4.5.5 cpmd QM/MM versions tarak karmakar
• 2013/08/13 [gmx-users] Re: Unkwown Keyword HILLS Albert
• 2013/08/13 [gmx-users] Yet another question about what force field to use Pedro Lacerda
• 2013/08/13 Re: [gmx-users] hessian calculation with periodic boundary condition John Travers
• 2013/08/13 Re: [gmx-users] VDW switched off in CHARMM tip3p model Mark Abraham
• 2013/08/13 Aw: [gmx-users] Force Field for peptides and proteins lloyd riggs
• 2013/08/13 [gmx-users] Unkwown Keyword HILLS Albert
• 2013/08/13 [gmx-users] VDW switched off in CHARMM tip3p model Weilong Zhao
• 2013/08/12 [gmx-users] Re: restraint-lambdas for position restraints in hamiltonian exchange Dejun Lin
• 2013/08/12 Re: [gmx-users] Problem running do_dssp Justin Lemkul
• 2013/08/12 [gmx-users] Problem running do_dssp Dipankar Roy
• 2013/08/12 Re: [gmx-users] perl scripts to convert CHARMM ff in GROMACS David van der Spoel
• 2013/08/12 [gmx-users] perl scripts to convert CHARMM ff in GROMACS Revthi Sanker
• 2013/08/12 [gmx-users] converting Charmm36 lipidds to gromacs Revthi Sanker
• 2013/08/12 [gmx-users] charmm2gromacs.py error Revthi Sanker
• 2013/08/12 Re: [gmx-users] Implement a modified pull module to mdrun Justin Lemkul
• 2013/08/12 RE: [gmx-users] Implement a modified pull module to mdrun Li, Hualin
• 2013/08/12 Re: [gmx-users] Implement a modified pull module to mdrun Justin Lemkul
• 2013/08/12 RE: [gmx-users] Implement a modified pull module to mdrun Li, Hualin
• 2013/08/12 Re: [gmx-users] Implement a modified pull module to mdrun Justin Lemkul
• 2013/08/12 [gmx-users] Implement a modified pull module to mdrun Li, Hualin
• 2013/08/12 Re: [gmx-users] hessian calculation with periodic boundary condition John Travers
• 2013/08/12 Re: [gmx-users] Force Field for peptides and proteins rajat desikan
• 2013/08/12 Re: [gmx-users] Force Field for peptides and proteins Justin Lemkul
• 2013/08/12 Re: [gmx-users] Force Field for peptides and proteins Dr. Vitaly Chaban
• 2013/08/12 Re: [gmx-users] Force Field for peptides and proteins Kieu Thu Nguyen
• 2013/08/12 [gmx-users] Force Field for peptides and proteins Maria Astón Serrano
• 2013/08/12 Re: [gmx-users] g_wham error analysis hangs Magnus Andersson
• 2013/08/12 Re: [gmx-users] g_wham error analysis hangs Jochen Hub
• 2013/08/12 Re: [gmx-users] g_wham -sym Jochen Hub
• 2013/08/12 Fwd: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Mark Abraham
• 2013/08/12 Re: [gmx-users] Lateral Diffusion of Lipids Kieu Thu Nguyen
• 2013/08/12 Re: [gmx-users] Lateral Diffusion of Lipids Justin Lemkul
• 2013/08/12 Re: [gmx-users] script to add water in protein Tsjerk Wassenaar
• 2013/08/12 Re: [gmx-users] Lateral Diffusion of Lipids Dr. Vitaly Chaban
• 2013/08/12 Re: [gmx-users] script to add water in protein pooja_gupta
• 2013/08/12 Re: [gmx-users] script to add water in protein bharat gupta
• 2013/08/12 [gmx-users] script to add water in protein pooja_gupta
• 2013/08/11 [gmx-users] Re: Trying to replicate Aqvist's results (solvation free energy). sumanc
• 2013/08/11 [gmx-users] Lateral Diffusion of Lipids Kieu Thu Nguyen
• 2013/08/11 Re: [gmx-users] Cleaning up trajectory files after crash Justin Lemkul
• 2013/08/11 Re: [gmx-users] Cleaning up trajectory files after crash Joshua Adelman
• 2013/08/11 Re: [gmx-users] Cleaning up trajectory files after crash Justin Lemkul
• 2013/08/11 Re: [gmx-users] About Running production simualtion in GPU Justin Lemkul
• 2013/08/11 Re: [gmx-users] hessian calculation with periodic boundary condition David van der Spoel
• 2013/08/11 [gmx-users] hessian calculation with periodic boundary condition John Travers
• 2013/08/11 [gmx-users] Cleaning up trajectory files after crash Joshua Adelman
• 2013/08/11 [gmx-users] About Running production simualtion in GPU vidhya sankar
• 2013/08/11 Re: [gmx-users] About running Production simulation in GPU with twinrange cut-off Justin Lemkul
• 2013/08/11 [gmx-users] About running Production simulation in GPU with twinrange cut-off vidhya sankar
• 2013/08/10 Re: [gmx-users] About running gromacs in GPU Justin Lemkul
• 2013/08/10 [gmx-users] About running gromacs in GPU vidhya sankar
• 2013/08/10 Re: [gmx-users] g_wham -sym Shima Arasteh
• 2013/08/09 Re: [gmx-users] Re: Use pull code to restrain the COM Justin Lemkul
• 2013/08/09 Re: [gmx-users] segmentation fault on g_protonate Justin Lemkul
• 2013/08/09 [gmx-users] segmentation fault on g_protonate Pedro Lacerda
• 2013/08/09 [gmx-users] Re: Use pull code to restrain the COM Bin Liu
• 2013/08/09 [gmx-users] Re: Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1 Guillaume Chevrot
• 2013/08/09 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Prentice Bisbal
• 2013/08/09 Re: Aw: [gmx-users] Umbrella sampling - position restraints suram417
• 2013/08/09 Re: [gmx-users] GPU + surface Lucio Montero
• 2013/08/09 Re: [gmx-users] BOND ... ANGLE and TORSION energy discrepancy between gromacs and cp2k Justin Lemkul
• 2013/08/09 Re: [gmx-users] BOND ... ANGLE and TORSION energy discrepancy between gromacs and cp2k Golshan Hejazi
• 2013/08/09 Re: [gmx-users] Lipid Bilayer on the Graphene or GO substrate David van der Spoel
• 2013/08/09 Re: [gmx-users] Re: Trying to replicate Aqvist's results (solvation free energy). André Farias de Moura
• 2013/08/09 Re: [gmx-users] Lipid Bilayer on the Graphene or GO substrate 朱文鹏
• 2013/08/09 [gmx-users] gromacs-4.5.5 CPMD QM/MM tarak karmakar
• 2013/08/09 Re: [gmx-users] g_wham -sym Justin Lemkul
• 2013/08/09 [gmx-users] g_wham -sym Shima Arasteh
• 2013/08/09 [gmx-users] Re: Trying to replicate Aqvist's results (solvation free energy). Heymman
• 2013/08/08 Re: [gmx-users] Trying to replicate Aqvist's results (solvation free energy). André Farias de Moura
• 2013/08/08 Re: [gmx-users] Use pull code to restrain the COM Justin Lemkul
• 2013/08/08 [gmx-users] Use pull code to restrain the COM Bin Liu
• 2013/08/08 Aw: [gmx-users] Umbrella sampling - position restraints lloyd riggs
• 2013/08/08 [gmx-users] Trying to replicate Aqvist's results (solvation free energy). Francis de Lasalle
• 2013/08/08 Re: [gmx-users] Umbrella sampling - position restraints Justin Lemkul
• 2013/08/08 [gmx-users] Umbrella sampling - position restraints rookie417
• 2013/08/08 Re: [gmx-users] g_WHAM Justin Lemkul
• 2013/08/08 Re: [gmx-users] g_WHAM Shima Arasteh
• 2013/08/08 [gmx-users] g_WHAM Shima Arasteh
• 2013/08/08 Re: [gmx-users] g_WHAM Justin Lemkul
• 2013/08/08 Re: [gmx-users] Re: inconsistent energy drops Justin Lemkul
• 2013/08/08 [gmx-users] Re: Gromacs: GPU detection Brad Van Oosten
• 2013/08/08 [gmx-users] Re: inconsistent energy drops Brad Van Oosten
• 2013/08/08 RE: [gmx-users] GPU + surface Berk Hess
• 2013/08/08 [gmx-users] GPU + surface Ondrej Kroutil
• 2013/08/08 Re: [gmx-users] Lipid Bilayer on the Graphene or GO substrate David van der Spoel
• 2013/08/08 Re: [gmx-users] Lipid Bilayer on the Graphene or GO substrate 朱文鹏
• 2013/08/07 Re: [gmx-users] BOND ... ANGLE and TORSION energy discrepancy between gromacs and cp2k David van der Spoel
• 2013/08/07 Re: [gmx-users] Lipid Bilayer on the Graphene or GO substrate David van der Spoel
• 2013/08/07 [gmx-users] BOND ... ANGLE and TORSION energy discrepancy between gromacs and cp2k Golshan Hejazi
• 2013/08/07 [gmx-users] Lipid Bilayer on the Graphene or GO substrate 朱文鹏
• 2013/08/07 Re: [gmx-users] Gromacs: GPU detection Szilárd Páll
• 2013/08/07 [gmx-users] Re: starting temperature equilibration phase ypca
• 2013/08/07 [gmx-users] Re: how is the pulling force measured zhuswf
• 2013/08/07 Re: [gmx-users] Bond energy doesn't appear in gromacs rerun Justin Lemkul
• 2013/08/07 Re: [gmx-users] Re: starting temperature equilibration phase Justin Lemkul
• 2013/08/07 [gmx-users] Re: starting temperature equilibration phase ypca
• 2013/08/07 [gmx-users] Bond energy doesn't appear in gromacs rerun Golshan Hejazi

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