July 2014 Archives by date

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Starting: Tue Jul 1 00:15:03 CEST 2014
Ending: Thu Jul 31 20:18:44 CEST 2014
Messages: 819

[gmx-users] grompp does not find atomtype Justin Lemkul
[gmx-users] dynamic selection memory allocation problem Teemu Murtola
[gmx-users] subscribe Ananda Bhattacharjee
[gmx-users] subscribe Rossen Apostolov
[gmx-users] Thanks to the developers heroic efforts! Mark Abraham
[gmx-users] hydrogen bond auto correlation Michael Brunsteiner
[gmx-users] Structuropedia Amjad Farooq
[gmx-users] Ion additon Harshkumar Singh
[gmx-users] Ion additon Justin Lemkul
[gmx-users] obtaining .gro timeframe Chetan Mahajan
[gmx-users] obtaining .gro timeframe Justin Lemkul
[gmx-users] Ion additon Harshkumar Singh
[gmx-users] obtaining .gro timeframe Chetan Mahajan
[gmx-users] Ion additon Justin Lemkul
[gmx-users] obtaining .gro timeframe Justin Lemkul
[gmx-users] obtaining .gro timeframe Chetan Mahajan
[gmx-users] Inserting required no. of water using genbox -ci -nmol crashing shivangi nangia
[gmx-users] TOP file conversion Andy Chao
[gmx-users] Some basic questions about trajconv Yip Yew Mun
[gmx-users] error in grompp command RINU KHATTRI
[gmx-users] Changed order of molecules in top Emma Ahlstrand
[gmx-users] grompp does not find atomtype Dawid das
[gmx-users] [gmx-announce] GROMACS 5.0 official release Luís Pereira
[gmx-users] grompp erros Linlin Sun
[gmx-users] error in grompp command ERASTOVA V.
[gmx-users] restart the calculation----- checksum error Guo, Yanan (IPC)
[gmx-users] Some basic questions about trajconv ERASTOVA V.
[gmx-users] error in grompp command RINU KHATTRI
[gmx-users] obtaining .gro timeframe Justin Lemkul
[gmx-users] Inserting required no. of water using genbox -ci -nmol crashing Justin Lemkul
[gmx-users] TOP file conversion Justin Lemkul
[gmx-users] error in grompp command Justin Lemkul
[gmx-users] restart the calculation----- checksum error Justin Lemkul
[gmx-users] Changed order of molecules in top Justin Lemkul
[gmx-users] Use trjconv in parallel, ABEL Stephane 175950
[gmx-users] Use trjconv in parallel, Carsten Kutzner
[gmx-users] grompp does not find atomtype Justin Lemkul
[gmx-users] grompp erros Justin Lemkul
[gmx-users] Use trjconv in parallel ABEL Stephane 175950
[gmx-users] Problem with g_chi options Anna Stopka
[gmx-users] grompp does not find atomtype Dawid das
[gmx-users] grompp does not find atomtype Justin Lemkul
[gmx-users] grompp does not find atomtype Dawid das
[gmx-users] grompp does not find atomtype Dawid das
[gmx-users] grompp does not find atomtype Justin Lemkul
[gmx-users] grompp does not find atomtype Justin Lemkul
[gmx-users] Changed order of molecules in top Emma A
[gmx-users] Changed order of molecules in top Justin Lemkul
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Nikolaos Michelarakis
[gmx-users] Changed order of molecules in top Emma A
[gmx-users] Changed order of molecules in top Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Justin Lemkul
[gmx-users] Requesting help on converting a CG (coarse grained) trajectory to a FG (fine grained) trajectory Yip Yew Mun
[gmx-users] Requesting help on converting a CG (coarse grained) trajectory to a FG (fine grained) trajectory Justin Lemkul
[gmx-users] GROMACS 5.0 official release Ali Khan
[gmx-users] GROMACS 5.0 official release Mark Abraham
[gmx-users] [gmx-announce] GROMACS 5.0 official release Mark Abraham
[gmx-users] Regarding lipid topology Venkat Reddy
[gmx-users] Gromacs 5.0 download Harshkumar Singh
[gmx-users] Gromacs 5.0 download Szilárd Páll
[gmx-users] [gmx-announce] GROMACS 5.0 official release Szilárd Páll
[gmx-users] Gromacs 5.0 download Roland Schulz
[gmx-users] Gromacs 5.0 download Harshkumar Singh
[gmx-users] g_polystat sorts the eigen vector Chandan Choudhury
[gmx-users] Gromacs 5.0 download Justin Lemkul
[gmx-users] Gromacs 5.0 download Szilárd Páll
[gmx-users] obtaining .gro timeframe Chetan Mahajan
[gmx-users] obtaining .gro timeframe Justin Lemkul
[gmx-users] Gromacs 5.0 download Harshkumar Singh
[gmx-users] Solvating protein in a CG representation - genbox problem Carlos Navarrro Retamal
[gmx-users] Gromacs 5.0 download Roland Schulz
[gmx-users] Solvating protein in a CG representation - genbox roblem Carlos Navarrro Retamal
[gmx-users] Excess Heat of mixing AMNINDER SINGH
[gmx-users] regarding error during EM dhaval patel
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] conf.gro RINU KHATTRI
[gmx-users] conf.gro RINU KHATTRI
[gmx-users] Incorrectly added water molecule by genbox. Dawid das
[gmx-users] Incorrectly added water molecule by genbox. Mark Abraham
[gmx-users] regarding error during EM Mark Abraham
[gmx-users] use -maxwarn option Urszula Uciechowska
[gmx-users] error in grompp command RINU KHATTRI
[gmx-users] use -maxwarn option Carsten Kutzner
[gmx-users] use -maxwarn option Christian Wagner
[gmx-users] Regarding lipid topology Dr. Vitaly Chaban
[gmx-users] g_polystat sorts the eigen vector Chandan Choudhury
[gmx-users] Graphene topology file Dr. Vitaly Chaban
[gmx-users] Regarding lipid topology Venkat Reddy
[gmx-users] error in grompp command RINU KHATTRI
[gmx-users] error in grompp command Chandan Choudhury
[gmx-users] Incorrectly added water molecule by genbox. Dawid das
[gmx-users] error in grompp command Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] Graphene topology file abhijit Kayal
[gmx-users] Excess Heat of mixing Justin Lemkul
[gmx-users] Excess Heat of mixing Amninder
[gmx-users] Incorrectly added water molecule by genbox. Mark Abraham
[gmx-users] Excess Heat of mixing Michael Brunsteiner
[gmx-users] Molecular Configuration of ionic liquids Andy Chao
[gmx-users] hardware setup for gmx Michael Brunsteiner
[gmx-users] gmx-5.0 features Michael Brunsteiner
[gmx-users] problem with calculating angles and dynamic selections gigo
[gmx-users] Problems with NFS Natalia Alveal F.
[gmx-users] Problems with NFS Victor Rosas Garcia
[gmx-users] Problems with NFS Natalia Alveal F.
[gmx-users] Cross correlation/Normalised covariance calculation problems Bailey A.
[gmx-users] problem with calculating angles and dynamic selections Venkat Reddy
[gmx-users] Problems with NFS Victor Rosas Garcia
[gmx-users] Problems with NFS Natalia Alveal F.
[gmx-users] Problems with NFS Victor Rosas Garcia
[gmx-users] Restarts with 5.0 Ali Khan
[gmx-users] problem with calculating angles and dynamic selections Venkat Reddy
[gmx-users] Molecular Configuration of ionic liquids (Andy Chao) Andrey Frolov
[gmx-users] Restarts with 5.0 Mark Abraham
[gmx-users] Restarts with 5.0 Ali Khan
[gmx-users] Problems with NFS Mark Abraham
[gmx-users] Difference between charmm22 and charmm27 force fields. Dawid das
[gmx-users] Difference between charmm22 and charmm27 force fields. Justin Lemkul
[gmx-users] Problems with NFS Natalia Alveal F.
[gmx-users] -extend problem gromacs query
[gmx-users] -extend problem Justin Lemkul
[gmx-users] -extend problem gromacs query
[gmx-users] -extend problem Justin Lemkul
[gmx-users] -extend problem gromacs query
[gmx-users] -extend problem Justin Lemkul
[gmx-users] -extend problem gromacs query
[gmx-users] -extend problem gromacs query
[gmx-users] 答复: -extend problem #ZHANG HAIPING#
[gmx-users] Inter-hydrogen bond half life sidra rafi
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] why the energy items in gromacs is different from charmm? wliu
[gmx-users] regarding group selection in output RINU KHATTRI
[gmx-users] problem with calculating angles and dynamic selections Teemu Murtola
[gmx-users] Graphene topology file abhijit Kayal
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] Graphene topology file abhijit Kayal
[gmx-users] why the energy items in gromacs is different from charmm? Mark Abraham
[gmx-users] help with poor performance on gromacs on Cray linux Mark Abraham
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] problem with calculating angles and dynamic selections gigo
[gmx-users] Minimisation failure: The charge group moved more than the distance allowed by the domain decomposition Vytautas Rakeviius
[gmx-users] [ pairs_nb ] in topology Jin Zhang
[gmx-users] confout.gro Victor Rosas Garcia
[gmx-users] question about Computational Electrophysiology Tom
[gmx-users] simulation at acid medium donna at iflysib.unlp.edu.ar
[gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 29 Tom
[gmx-users] simulation at acid medium Erik Marklund
[gmx-users] Helix Twist Natalia Alveal F.
[gmx-users] Invalid order for directive atomtypes Albert
[gmx-users] simulation at acid medium donna at iflysib.unlp.edu.ar
[gmx-users] simulation at acid medium Erik Marklund
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Invalid order for directive atomtypes Mark Abraham
[gmx-users] Helix Twist Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 29 Mark Abraham
[gmx-users] What analysis do I need? Batdorj Batsaikhan
[gmx-users] regarding group selection in output Justin Lemkul
[gmx-users] confout.gro Justin Lemkul
[gmx-users] Minimisation failure: The charge group moved more than the distance allowed by the domain decomposition Justin Lemkul
[gmx-users] What analysis do I need? Justin Lemkul
[gmx-users] Use trjconv in parallel Tsjerk Wassenaar
[gmx-users] Invalid order for directive atomtypes Albert
[gmx-users] question about Computational Electrophysiology Carsten Kutzner
[gmx-users] Replacing a molecule with multiple ions Timothy Click
[gmx-users] Replacing a molecule with multiple ions Mark Abraham
[gmx-users] Constant pH simulations Douglas Grahame
[gmx-users] Constant pH simulations Ullmann, Thomas
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] GROMPP COMMAND Andy Chao
[gmx-users] Graphene topology file abhijit Kayal
[gmx-users] GROMPP COMMAND abhijit Kayal
[gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS Manu Vajpai
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS Carsten Kutzner
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] GROMPP COMMAND Justin Lemkul
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Tutorial updates Justin Lemkul
[gmx-users] confout.gro Justin Lemkul
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] GROMPP COMMAND Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] 1 gpu vs 2 gpu speedup Harry Mark Greenblatt
[gmx-users] 1 gpu vs 2 gpu speedup Harry Mark Greenblatt
[gmx-users] confout.gro Justin Lemkul
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] question about modified LJ combination rule sujithkakkat .
[gmx-users] centering molecule for movies Neha Gandhi
[gmx-users] illegal instruction, core dumped abbas yousefpour
[gmx-users] Verlet AND tabulated potential Tamas Karpati
[gmx-users] GROMACS 4.6.6 is released Mark Abraham
[gmx-users] simulation at acid medium donna at iflysib.unlp.edu.ar
[gmx-users] simulation at acid medium donna at iflysib.unlp.edu.ar
[gmx-users] simulation at acid medium Douglas Grahame
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] question about modified LJ combination rule Justin Lemkul
[gmx-users] centering molecule for movies Justin Lemkul
[gmx-users] illegal instruction, core dumped Justin Lemkul
[gmx-users] Automated simulations with Gromacs: MD, BAR, Umbrella, Force Field conversion. Andrey Frolov
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Roland Schulz
[gmx-users] strange but true : How to explain and avoid? Justin Lemkul
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Justin Lemkul
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] Semiisotropic pcoupltype for liquid crystals Todor Antonijevic
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] strange but true : How to explain and avoid? Tsjerk Wassenaar
[gmx-users] polarizable MARTINI water Katie Maerzke
[gmx-users] polarizable MARTINI water Tsjerk Wassenaar
[gmx-users] Verlet AND tabulated potential Mark Abraham
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Verlet AND tabulated potential Tamas Karpati
[gmx-users] 1 gpu vs 2 gpu speedup Szilárd Páll
[gmx-users] 1 gpu vs 2 gpu speedup Szilárd Páll
[gmx-users] confout.gro RINU KHATTRI
[gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations Yip Yew Mun
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] confout.gro Justin Lemkul
[gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations ms
[gmx-users] Problems in compiling GROMACS with VMD plugin ming ma
[gmx-users] simulation at acid medium donna at iflysib.unlp.edu.ar
[gmx-users] polarizable MARTINI water Katie Maerzke
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Tsjerk Wassenaar
[gmx-users] gmx-5.0 features Szilárd Páll
[gmx-users] gmx-5.0 features Szilárd Páll
[gmx-users] hardware setup for gmx Szilárd Páll
[gmx-users] hardware setup for gmx Szilárd Páll
[gmx-users] strange but true : How to explain and avoid? Justin Lemkul
[gmx-users] Problems in compiling GROMACS with VMD plugin Roland Schulz
[gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 49 ming ma
[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P Xingcheng Lin
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Justin Lemkul
[gmx-users] strange but true : How to explain and avoid? Tsjerk Wassenaar
[gmx-users] strange but true : How to explain and avoid? Tsjerk Wassenaar
[gmx-users] strange but true : How to explain and avoid? Chetan Mahajan
[gmx-users] strange but true : How to explain and avoid? Tsjerk Wassenaar
[gmx-users] how to quantify and visualize the flow of water into a protein Thomas Evangelidis
[gmx-users] how to quantify and visualize the flow of water into a protein Justin Lemkul
[gmx-users] GPU tutorial Raman Parkesh
[gmx-users] Regarding gmx gangle selection Venkat Reddy
[gmx-users] Regarding gmx gangle selection Venkat Reddy
[gmx-users] polarizable water and non-polarizable alkanes Yana Tsoneva
[gmx-users] parameters for Ag+ ions Rebeca García Fandiño
[gmx-users] GPU tutorial Chandan Choudhury
[gmx-users] Reducing the dimensionality of my cross correlation matrix Bailey A.
[gmx-users] Problem with g_chi options Anna Stopka
[gmx-users] GPU tutorial Raman Parkesh
[gmx-users] Problems in compiling GROMACS with VMD plugin (Roland Schulz) ming ma
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Regarding gmx gangle selection Teemu Murtola
[gmx-users] polarizable water and non-polarizable alkanes Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Regarding gmx gangle selection Venkat Reddy
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Nikolaos Michelarakis
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Justin Lemkul
[gmx-users] 1 gpu vs 2 gpu speedup Harry Mark Greenblatt
[gmx-users] Fwd: DSSP- error Uma Devi
[gmx-users] Passing group of solvent molecules by argument in genion Marco Rougeth
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] 1 gpu vs 2 gpu speedup Szilárd Páll
[gmx-users] Reducing the dimensionality of my cross correlation matrix Bailey A.
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Nikolaos Michelarakis
[gmx-users] Regarding 'insolidangle' and some tools Venkat Reddy
[gmx-users] Problem with g_chi options Justin Lemkul
[gmx-users] Fwd: DSSP- error Justin Lemkul
[gmx-users] Passing group of solvent molecules by argument in genion Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] CHARMM to GROMACS conversion and inclusion of bonded, non-standard residues and parameters Justin Lemkul
[gmx-users] Passing group of solvent molecules by argument in genion Marco Rougeth
[gmx-users] 3dc + GPU Ondrej Kroutil
[gmx-users] Tutorial updates Oliver Stueker
[gmx-users] 3dc + GPU Mark Abraham
[gmx-users] Question about "atom" field in .top / .itp file vs ffnonbonded.itp Eric Smoll
[gmx-users] Tutorial updates Justin Lemkul
[gmx-users] Question about "atom" field in .top / .itp file vs ffnonbonded.itp Justin Lemkul
[gmx-users] mdrun error messages Andy Chao
[gmx-users] MDRUN error message Andy Chao
[gmx-users] Regarding 'insolidangle' and some tools Teemu Murtola
[gmx-users] Problems in compiling GROMACS with VMD plugin (Roland Schulz) Roland Schulz
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] How to calculate the COM and box vectors in umbrella sampling Maziya Ibrahim
[gmx-users] Regarding 'insolidangle' and some tools Venkat Reddy
[gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations Maestre, Mitcheell
[gmx-users] Requesting for Help on Hybrid CG-AA MD Simulations Maestre, Mitcheell
[gmx-users] 3dc + GPU Ondrej Kroutil
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] 3dc + GPU Szilárd Páll
[gmx-users] MDRUN error message Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] How to calculate the COM and box vectors in umbrella sampling Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] mdrun error messages Mark Abraham
[gmx-users] Subtract structure to a trajectory Marco Gerolin
[gmx-users] .top file molecules directive Aranha, Michelle
[gmx-users] g_energy help ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] g_energy help Justin Lemkul
[gmx-users] .top file molecules directive Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files Michael Brunsteiner
[gmx-users] Interaction energy between helices Natalia Alveal F.
[gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] Interaction energy between helices Justin Lemkul
[gmx-users] Trouble with gmx distance Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] Trouble with gmx distance Teemu Murtola
[gmx-users] Subtract structure to a trajectory James
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] Subtract structure to a trajectory Marco Gerolin
[gmx-users] Running job on GPUs Nidhi Katyal
[gmx-users] Running job on GPUs Szilárd Páll
[gmx-users] Running job on GPUs Mark Abraham
[gmx-users] g_wham and hist question ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Interaction energy between helices Natalia Alveal F.
[gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files Tsjerk Wassenaar
[gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files Justin Lemkul
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] g_wham and hist question Justin Lemkul
[gmx-users] Trouble with gmx distance Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] gmx-5.0 does not seem to honour plus/minus signs in topology files Mark Abraham
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Tsjerk Wassenaar
[gmx-users] (no subject) elham tazikeh
[gmx-users] g_saltbr analysis elham tazikeh
[gmx-users] scount.xvg analysis elham tazikeh
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Tsjerk Wassenaar
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] question about pdb2gmx Tom
[gmx-users] g_saltbr analysis Justin Lemkul
[gmx-users] scount.xvg analysis Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] question about pdb2gmx Justin Lemkul
[gmx-users] Gromacs and graphene sheets Dr. Timothy Click
[gmx-users] regarding pdb pratibha kapoor
[gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations Yip Yew Mun
[gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations Justin Lemkul
[gmx-users] regarding pdb Justin Lemkul
[gmx-users] Gromacs and graphene sheets Justin Lemkul
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] Regarding constant force pulling Singam Karthick
[gmx-users] Regarding constant force pulling Justin Lemkul
[gmx-users] scount.xvg analysis elham tazikeh
[gmx-users] Having Problem with Gromacs Regressiontests Todor Antonijevic
[gmx-users] Having Problem with Gromacs Regressiontests Justin Lemkul
[gmx-users] scount.xvg analysis Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations Yip Yew Mun
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] How To Turn Off Electrostatics Linearly in TI Simulations Michael Shirts
[gmx-users] Force GROMACS 5.0 to use GPU Nizar
[gmx-users] Force GROMACS 5.0 to use GPU Mirco Wahab
[gmx-users] How to calculate the COM and box vectors in umbrella sampling Maziya Ibrahim
[gmx-users] (no subject) Yana Tsoneva
[gmx-users] pdb2gmx mirko busato
[gmx-users] g_hbond mirko busato
[gmx-users] g_hbond mirko busato
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Justin Lemkul
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] How to calculate the COM and box vectors in umbrella sampling Justin Lemkul
[gmx-users] (no subject) Justin Lemkul
[gmx-users] g_hbond Justin Lemkul
[gmx-users] g_hbond Justin Lemkul
[gmx-users] g_hbond mirko busato
[gmx-users] Problem with g_chi options Anna Stopka
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Having Problem with Gromacs Regressiontests Todor Antonijevic
[gmx-users] perl script running elham tazikeh
[gmx-users] perl script running Mirco Wahab
[gmx-users] limitation of no. of atoms in the .gro file Sikandar Mashayak
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] g_energy help ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] g_energy help Justin Lemkul
[gmx-users] illegal instruction while using mdrun command Andy Chao
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] How can I add subsequent simulations? Batdorj Batsaikhan
[gmx-users] Gromacs - Dimer Simulation problems Michael Carter
[gmx-users] Gromacs - Dimer Simulation problems Kavyashree M
[gmx-users] Gromacs - Dimer Simulation problems Michael Carter
[gmx-users] .rtp file - how to define improper dihedrals? Dawid das
[gmx-users] CELLmicrocosmos neXt: 1st Call for Abstracts Björn Sommer
[gmx-users] more than 99,999 atoms in conf.gro Sikandar Mashayak
[gmx-users] more than 99,999 atoms in conf.gro Chandan Choudhury
[gmx-users] limitation of no. of atoms in the .gro file Mark Abraham
[gmx-users] illegal instruction while using mdrun command Mark Abraham
[gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals. Dawid das
[gmx-users] more than 99,999 atoms in conf.gro Sikandar Mashayak
[gmx-users] limitation of no. of atoms in the .gro file Sikandar Mashayak
[gmx-users] GPU build error Sikandar Mashayak
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] GPU build error Szilárd Páll
[gmx-users] illegal instruction while using mdrun command Szilárd Páll
[gmx-users] illegal instruction while using mdrun command Szilárd Páll
[gmx-users] How can I add subsequent simulations? Dallas Warren
[gmx-users] .rtp file - how to define improper dihedrals? Justin Lemkul
[gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals. Justin Lemkul
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Justin Lemkul
[gmx-users] my log file to the mdrun error message that on Tue 15, July... Andy Chao
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] mdrun error messages Andy Chao
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Dallas Warren
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT vivek sinha
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Simulation at high temperature bharat gupta
[gmx-users] Problem related to solvating CNT and then removing out the molecules inside CNT Dallas Warren
[gmx-users] Error in system_inflate.gro coordinates does not match Dallas Warren
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] PRODRG Sarath Kumar Baskaran
[gmx-users] Simulation at high temperature rajat desikan
[gmx-users] Simulation at high temperature bharat gupta
[gmx-users] Gromacs and graphene sheets Timothy Click
[gmx-users] my log file to the mdrun error message that on Tue 15, July... Carsten Kutzner
[gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals. Dawid das
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] PRODRG Justin Lemkul
[gmx-users] Gromacs and graphene sheets Justin Lemkul
[gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals. Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] inconsistency in obtained temperature values by traj and g_energy tools Rasoul Nasiri
[gmx-users] my log file to the mdrun error message that on Tue 15, July... Szilárd Páll
[gmx-users] Going from OPLS-AA dihedrals to CHARMM22 dihedrals. Dawid das
[gmx-users] Gromacs and graphene sheets Timothy Click
[gmx-users] Normal Mode Analysis xy21hb
[gmx-users] Gromacs and graphene sheets Justin Lemkul
[gmx-users] Gromacs and graphene sheets Timothy Click
[gmx-users] Gromacs and graphene sheets Justin Lemkul
[gmx-users] Gromacs and graphene sheets Timothy Click
[gmx-users] the average value of the pressure Mahboobeh Eslami
[gmx-users] the average value of the pressure Justin Lemkul
[gmx-users] the average value of the pressure Mahboobeh Eslami
[gmx-users] Group vs Verlet pair-lists leila salimi
[gmx-users] Group vs Verlet pair-lists leila salimi
[gmx-users] Group vs Verlet pair-lists Justin Lemkul
[gmx-users] cutoff-scheme in CPU& GPU leila salimi
[gmx-users] Group vs Verlet pair-lists leila salimi
[gmx-users] g_wham -sym question ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] cutoff-scheme in CPU& GPU Szilárd Páll
[gmx-users] Domain decomposition error with implicit solvent Sapna Sarupria
[gmx-users] Error in system_inflate.gro coordinates does not match Dallas Warren
[gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1 DeBaJiT DeY
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Regarding segmentation fault in GPU_gromacs 4.6.1 Justin Lemkul
[gmx-users] Graphene topology file #SUKRITI GUPTA#
[gmx-users] Graphene topology file Justin Lemkul
[gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction Alexandre Barrozo
[gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction vivek sinha
[gmx-users] Regarding Performance Tuning for GROMACS vidhya sankar
[gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction Alexandre Barrozo
[gmx-users] Segmentation fault after warning regarding Listed nonbonded interaction Justin Lemkul
[gmx-users] Regarding Performance Tuning for GROMACS Justin Lemkul
[gmx-users] Regarding Performance Tuning for GROMACS Szilárd Páll
[gmx-users] Can't allocate memory problem Yunlong Liu
[gmx-users] Library file table.xvg not found in current dir nor in default directories Steven Neumann
[gmx-users] Library file table.xvg not found in current dir nor in default directories Steven Neumann
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P lina
[gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]? Yip Yew Mun
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] water and alkanes with Drude oscillators Yana Tsoneva
[gmx-users] Force GROMACS 5.0 to use GPU Nizar
[gmx-users] Force GROMACS 5.0 to use GPU Nizar
[gmx-users] convert amber to gromacs Tom
[gmx-users] No .atp file could be found error in KALP-15 in DPPC tutorial sjubaer at purdue.edu
[gmx-users] No .atp file could be found error in KALP-15 in DPPC tutorial Justin Lemkul
[gmx-users] convert amber to gromacs Justin Lemkul
[gmx-users] water and alkanes with Drude oscillators Justin Lemkul
[gmx-users] Can't allocate memory problem Mark Abraham
[gmx-users] Domain Decomposition error with Implicit Solvent Siva Dasetty
[gmx-users] energy help ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] 答复: Can't allocate memory problem Yunlong Liu
[gmx-users] dihedraltype parameters akari karin
[gmx-users] 答复: Can't allocate memory problem Yunlong Liu
[gmx-users] 答复: Can't allocate memory problem Szilárd Páll
[gmx-users] 答复: Can't allocate memory problem Szilárd Páll
[gmx-users] 答复: 答复: Can't allocate memory problem Yunlong Liu
[gmx-users] 答复: 答复: Can't allocate memory problem Szilárd Páll
[gmx-users] Over Clocking CPU on GROMACS Nizar
[gmx-users] gromacs Bug? ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] How to add multiple simulations? Batdorj Batsaikhan
[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P lina
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] gromacs Bug? Justin Lemkul
[gmx-users] How to add multiple simulations? Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] g_select Shima Arasteh
[gmx-users] Fw: g_select Shima Arasteh
[gmx-users] g_select Shima Arasteh
[gmx-users] g_select Shima Arasteh
[gmx-users] number of coordinates in coordinate file does not match topology Jonathan Saboury
[gmx-users] g_select Justin Lemkul
[gmx-users] number of coordinates in coordinate file does not match topology Justin Lemkul
[gmx-users] rlistlong problem Mostafa Javaheri
[gmx-users] gromacs Bug? Dr. Vitaly Chaban
[gmx-users] rlistlong problem Justin Lemkul
[gmx-users] Re gromacs Bug? ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Re gromacs Bug? Justin Lemkul
[gmx-users] Need Help in Running Thermodynamic Integration (TI) Simulations Yew Mun Yip
[gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology rss
[gmx-users] Residues in rtp file Dibyajyoti
[gmx-users] Residues in rtp file Justin Lemkul
[gmx-users] How to add multiple simulations? Justin Lemkul
[gmx-users] Re gromacs Bug? ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] g_wham tpr files ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Domain Decomposition error with Implicit Solvent Siva Dasetty
[gmx-users] rlistlong problem Mostafa Javaheri
[gmx-users] water and alkanes with Drude oscillators Yana Tsoneva
[gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology Leo Bian
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Simulation of Glass Surfaces? AJ Lanphere
[gmx-users] Help Energy Diferences ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Simulation of Glass Surfaces? David van der Spoel
[gmx-users] DOPG.itp Ardeshir
[gmx-users] Issues using tabulated potentials for coarse-grained simulation Brian Yoo
[gmx-users] simulating multiple objects in the same box ibrahim khalil
[gmx-users] Help Energy Diferences ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] Installing 5.0 on Cygwin - Getting error John Doe
[gmx-users] Installing 5.0 on Cygwin - Getting error Roland Schulz
[gmx-users] g_wham tpr files Justin Lemkul
[gmx-users] rlistlong problem Justin Lemkul
[gmx-users] water and alkanes with Drude oscillators Justin Lemkul
[gmx-users] Installing 5.0 on Cygwin - Getting error Mirco Wahab
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Help Energy Diferences Justin Lemkul
[gmx-users] simulating multiple objects in the same box Justin Lemkul
[gmx-users] Installing 5.0 on Cygwin - Getting error Roland Schulz
[gmx-users] Git Gromacs Cygwin Build - Error John Doe
[gmx-users] Git Gromacs Cygwin Build - Error Roland Schulz
[gmx-users] Problem in Molecular dynamics of ligand protein complex in POPC lipid neha bharti
[gmx-users] simulating multiple objects in the same box ibrahim khalil
[gmx-users] PAGE forcefiled in Gromacs? Albert
[gmx-users] water and alkanes with Drude oscillators Yana Tsoneva
[gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies Yip Yew Mun
[gmx-users] Problem in Molecular dynamics of ligand protein complex in POPC lipid Justin Lemkul
[gmx-users] simulating multiple objects in the same box Justin Lemkul
[gmx-users] PAGE forcefiled in Gromacs? Justin Lemkul
[gmx-users] water and alkanes with Drude oscillators Justin Lemkul
[gmx-users] Simulating beta-peptides Venkat Reddy
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 leila salimi
[gmx-users] Simulating beta-peptides Justin Lemkul
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 Justin Lemkul
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 leila salimi
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 leila salimi
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 Justin Lemkul
[gmx-users] GROMACS: Few questions lswierczewski .
[gmx-users] GROMACS: Few questions Justin Lemkul
[gmx-users] does not appear to contain CMakeLists.txt Error to compile GROMACS 4.6.3 leila salimi
[gmx-users] GROMACS: Few questions lswierczewski .
[gmx-users] GROMACS: Few questions Justin Lemkul
[gmx-users] condition on MPI and GPU tasks Sikandar Mashayak
[gmx-users] condition on MPI and GPU tasks Szilárd Páll
[gmx-users] Molecular Solid PBC problem Guilherme Duarte Ramos Matos
[gmx-users] Molecular Solid PBC problem Justin Lemkul
[gmx-users] about cos-accelation Hyunjin Kim
[gmx-users] g_energy questions Andy Chao
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] Angle group Cyrus Djahedi
[gmx-users] about cos-accelation Dr. Vitaly Chaban
[gmx-users] about cos-accelation Dr. Vitaly Chaban
[gmx-users] Molecular Solid PBC problem Dr. Vitaly Chaban
[gmx-users] Angle group Dr. Vitaly Chaban
[gmx-users] Fwd: Diffusion coefficient of metal complex Meena Singh
[gmx-users] Diffusion coefficient of metal complex Meena Singh
[gmx-users] Diffusion coefficient of metal complex Meena Singh
[gmx-users] g_energy questions Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Diffusion coefficient of metal complex Justin Lemkul
[gmx-users] Angle group Justin Lemkul
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] coulomb interactions with zero charge atoms Sikandar Mashayak
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Lennard-Jones potential not matching with published data ibrahim khalil
[gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies Mark Abraham
[gmx-users] coulomb interactions with zero charge atoms Mark Abraham
[gmx-users] Help Energy Diferences Mark Abraham
[gmx-users] Pull code with dummy atom as reference - not working Stella Nickerson
[gmx-users] Issues using tabulated potentials for coarse-grained simulation Mark Abraham
[gmx-users] Domain Decomposition error with Implicit Solvent Mark Abraham
[gmx-users] Can I use Ryckaert-Bellemans parameters to build a multiple dihedrals topology Mark Abraham
[gmx-users] Lennard-Jones potential not matching with published data Justin Lemkul
[gmx-users] Obtaining Positive Energy Values for Both Potential and Total Energies Justin Lemkul
[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P Mark Abraham
[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P Mark Abraham
[gmx-users] Pull code with dummy atom as reference - not working Justin Lemkul
[gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]? Mark Abraham
[gmx-users] genion question ANDRES ADOLFO ORTEGA GUERRERO
[gmx-users] genion question Justin Lemkul
[gmx-users] Urea induced denaturation Douglas Grahame
[gmx-users] Urea induced denaturation Justin Lemkul
[gmx-users] Urea induced denaturation Douglas Grahame
[gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]? Yip Yew Mun
[gmx-users] g_energy definition Andy Chao
[gmx-users] Domain Decomposition error with Implicit Solvent Siva Dasetty
[gmx-users] g_energy definition Justin Lemkul
[gmx-users] Fwd: Obtaining Positive Energy Values for Both Potential and Total Energies Mark Abraham
[gmx-users] Angle group Cyrus Djahedi
[gmx-users] Fw:Normal Mode Analysis xy21hb
[gmx-users] Angle group Justin Lemkul
[gmx-users] continuation run segmentation fault David de Sancho
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] gromacs.org_gmx-users Digest, Vol 123, Issue 124: reply to message 1 Guilherme Duarte Ramos Matos
[gmx-users] Issues using tabulated potentials for coarse-grained simulation Brian Yoo
[gmx-users] Lennard-Jones potential not matching with published data Elton Carvalho
[gmx-users] Gromacs performance on virtual servers Elton Carvalho
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 qiaobf
[gmx-users] Issues using tabulated potentials for coarse-grained simulation Mark Abraham
[gmx-users] time accounting in log file with GPU Sikandar Mashayak
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 Mark Abraham
[gmx-users] continuation run segmentation fault Szilárd Páll
[gmx-users] time accounting in log file with GPU Mark Abraham
[gmx-users] Gromacs performance on virtual servers Mark Abraham
[gmx-users] time accounting in log file with GPU Sikandar Mashayak
[gmx-users] time accounting in log file with GPU Szilárd Páll
[gmx-users] Gromacs performance on virtual servers Szilárd Páll
[gmx-users] Gromacs performance on virtual servers Szilárd Páll
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] Lennard-Jones potential not matching with published data Justin Lemkul
[gmx-users] Lennard-Jones potential not matching with published data Elton Carvalho
[gmx-users] Re grompp and mdrun output files Melsa Rose Ducut
[gmx-users] Re grompp and mdrun output files Giuseppina La Sala
[gmx-users] g_cluster analysis for structure refirement James Starlight
[gmx-users] g_cluster analysis for structure refirement Tsjerk Wassenaar
[gmx-users] Gromacs performance on virtual servers Mark Abraham
[gmx-users] Groups in index.ndx INPE (Ingrid Viveka Pettersson)
[gmx-users] Angle group Cyrus Djahedi
[gmx-users] Groups in index.ndx Justin Lemkul
[gmx-users] Angle group Justin Lemkul
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Lennard jones parameters for ions #SUKRITI GUPTA#
[gmx-users] Lennard jones parameters for metal ions #SUKRITI GUPTA#
[gmx-users] Lennard jones parameters for ions Justin Lemkul
[gmx-users] Groups in index.ndx INPE (Ingrid Viveka Pettersson)
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] Groups in index.ndx Nidhi Katyal
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Lennard jones parameters for ions #SUKRITI GUPTA#
[gmx-users] Lennard jones parameters for ions Justin Lemkul
[gmx-users] Lennard jones parameters for ions Justin Lemkul
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] genbox_mpi and "Error: Invalid number of threads defined" lswierczewski .
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] genbox_mpi and "Error: Invalid number of threads defined" Justin Lemkul
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Gromacs performance on virtual servers Szilárd Páll
[gmx-users] time accounting in log file with GPU Sikandar Mashayak
[gmx-users] time accounting in log file with GPU Mark Abraham
[gmx-users] time accounting in log file with GPU Sikandar Mashayak
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Justin Lemkul
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] electrostatics forces and van der waals forces calculation Andy Chao
[gmx-users] lipid restrain RINU KHATTRI
[gmx-users] lipid restrain RINU KHATTRI
[gmx-users] g_cluster analysis for structure refirement James Starlight
[gmx-users] g_cluster analysis for structure refirement Thomas Evangelidis
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Mark Abraham
[gmx-users] solvent molecules do not fill up the entire box Maziya Ibrahim
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Mark Abraham
[gmx-users] electrostatics forces and van der waals forces calculation Mark Abraham
[gmx-users] Domain Decomposition error with Implicit Solvent Siva Dasetty
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] How do I get to know the meaning of the first column in log file? Theodore Si
[gmx-users] How do I get to know the meaning of the first column in log file? Mark Abraham
[gmx-users] How do I get to know the meaning of the first column in log file? Theodore Si
[gmx-users] Some columns in log file. Theodore Si
[gmx-users] lipid restrain RINU KHATTRI
[gmx-users] Error in system_inflate.gro coordinates does not match RINU KHATTRI
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] How do I get to know the meaning of the first column in log file? Mark Abraham
[gmx-users] How do I get to know the meaning of the first column in log file? Theodore Si
[gmx-users] How do I get to know the meaning of the first column in log file? Mark Abraham
[gmx-users] How do I get to know the meaning of the first column in log file? Theodore Si
[gmx-users] How do I get to know the meaning of the first column in log file? Guillaume Chevrot
[gmx-users] tpbconv tool change - gromacs 5.0 mattia B.
[gmx-users] How do I get to know the meaning of the first column in log file? Theodore Si
[gmx-users] g_cluster analysis for structure refirement James Starlight
[gmx-users] tpbconv tool change - gromacs 5.0 Justin Lemkul
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] FEP and equilibration problems João Martins
[gmx-users] IR spectra, X-ray diffraction Cyrus Djahedi
[gmx-users] FEP and equilibration problems João Martins
[gmx-users] Error in system_inflate.gro coordinates does not match Justin Lemkul
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] tpbconv tool change - gromacs 5.0 mattia B.
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] PRODRG -cgnr Atila Petrosian
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] subscription request nicola staffolani
[gmx-users] subscription request Justin Lemkul
[gmx-users] PRODRG -cgnr Justin Lemkul
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 qiaobf
[gmx-users] maximum energy in ipnic liquid Andy Chao
[gmx-users] PRODRG -cgnr Matthew D Kim
[gmx-users] PRODRG -cgnr Matthew D Kim
[gmx-users] Lennard jones parameters for ions Dr. Vitaly Chaban
[gmx-users] maximum energy in ipnic liquid Dr. Vitaly Chaban
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 Mark Abraham
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 Mark Abraham
[gmx-users] Changing .mdp options in continuation run problems Matthew D Kim
[gmx-users] Changing .mdp options in continuation run problems Justin Lemkul
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] Can't run v. 4.6.6 on worker nodes if they are compiled with SIMD Seyyed Mohtadin Hashemi
[gmx-users] neighbor list Sikandar Mashayak
[gmx-users] Changing .mdp options in continuation run problems Matthew D Kim
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 Teemu Murtola
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 Teemu Murtola
[gmx-users] neighbor list Mark Abraham
[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0 qiaobf
[gmx-users] Pull code with dummy atom as reference - not working Stella Nickerson
[gmx-users] Pull code with dummy atom as reference - not working Justin Lemkul
[gmx-users] Details about using g_wham Yoo Chan Myung
[gmx-users] Some columns in log file. Szilárd Páll
[gmx-users] Some columns in log file. Szilárd Páll
[gmx-users] Some columns in log file. Theodore Si
[gmx-users] g_tcaf Andy Chao
[gmx-users] neighbor list Sikandar Mashayak
[gmx-users] g_select position variables Cara Kreck
[gmx-users] measuring surface tension Mass
[gmx-users] Details about using g_wham Dr. Vitaly Chaban
[gmx-users] Some columns in log file. Justin Lemkul
[gmx-users] g_tcaf Justin Lemkul
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] !Help!: Normal Mode Analysis xy21hb
[gmx-users] !Help!: Normal Mode Analysis Yu Ogawa
[gmx-users] No default Proper Dih. types John Doe
[gmx-users] Grompp not finding proper dihedral John Doe
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] Grompp not finding proper dihedral Justin Lemkul
[gmx-users] Molecular solid NPT simulation problem Guilherme Duarte Ramos Matos
[gmx-users] Some columns in log file. Theodore Si
[gmx-users] POPC/POPC structures Steven Neumann
[gmx-users] POPC/POPC structures RINU KHATTRI
[gmx-users] POPC/POPC structures Steven Neumann
[gmx-users] Grompp not finding proper dihedral RINU KHATTRI
[gmx-users] Ligand moving during MD course. Raju
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Ligand moving during MD course. Thomas Evangelidis
[gmx-users] POPC/POPC structures Justin Lemkul
[gmx-users] Grompp not finding proper dihedral Justin Lemkul
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] hardware setup for gmx Michael Brunsteiner
[gmx-users] Grompp not finding proper dihedral John Doe
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] Gromacs 5.0 compiles only with intel 13.1? David Dotson
[gmx-users] Gromacs 5.0 compiles only with intel 13.1? David van der Spoel
[gmx-users] Gromacs 5.0 compiles only with intel 13.1? David Dotson
[gmx-users] Gromacs 5.0 compiles only with intel 13.1? Szilárd Páll
[gmx-users] Gromacs 5.0 compiles only with intel 13.1? David Dotson
[gmx-users] hardware setup for gmx Szilárd Páll
[gmx-users] hardware setup for gmx Szilárd Páll
[gmx-users] gromacs Meenakshi Rajput
[gmx-users] gromacs HANNIBAL LECTER
[gmx-users] gromacs Justin Lemkul
[gmx-users] gromacs error Urszula Uciechowska
[gmx-users] gromacs error Justin Lemkul
[gmx-users] gromacs error Urszula Uciechowska
[gmx-users] gromacs error Justin Lemkul
[gmx-users] gromacs error Urszula Uciechowska
[gmx-users] input error? Urszula Uciechowska
[gmx-users] gromacs error Urszula Uciechowska
[gmx-users] hints for core/shell optimization? Tamas Karpati
[gmx-users] gromacs error Justin Lemkul
[gmx-users] input error? Justin Lemkul
[gmx-users] hints for core/shell optimization? Justin Lemkul
[gmx-users] g_select position variables Teemu Murtola
[gmx-users] hints for core/shell optimization? Tamas Karpati

Last message date: Thu Jul 31 20:18:44 CEST 2014
Archived on: Thu Jul 31 20:18:46 CEST 2014

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