October 2014 Archives by thread

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Starting: Wed Oct 1 04:08:56 CEST 2014
Ending: Fri Oct 31 21:38:06 CET 2014
Messages: 734

• [gmx-users] Folding simulation using gromacs   AINUN NIZAR M
  • [gmx-users] Folding simulation using gromacs   Mirco Wahab
• [gmx-users] Suggestion on Simple protocol for MD..   rama david
• [gmx-users] performance 1 gpu   Johnny Lu
  • [gmx-users] performance 1 gpu   Mark Abraham
• [gmx-users] Gromacs 5.0.2 released   Mark Abraham
• [gmx-users] Performance of GTX 980 and 970   Pappu Kumar
  • [gmx-users] Performance of GTX 980 and 970   Szilárd Páll
• [gmx-users] RB dihedral performance greatly improved! [was: Re: GPU waits for CPU, any remedies?]   Szilárd Páll
• [gmx-users] source cord routines for electric fields   米谷慎
  • [gmx-users] source cord routines for electric fields   David van der Spoel
  • [gmx-users] source cord routines for electric fields   Makoto Yoneya
    • [gmx-users] source cord routines for electric fields   Makoto Yoneya
      • [gmx-users] source cord routines for electric fields   Makoto Yoneya
• [gmx-users] User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Francesco Mambretti
  • [gmx-users] User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Mirco Wahab
  • [gmx-users] User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Mark Abraham
• [gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi   Mark Abraham
• [gmx-users] R: Re: User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Francesco Mambretti
  • [gmx-users] R: Re: User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Mark Abraham
    • [gmx-users] R: Re: R: Re: User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Francesco Mambretti
      • [gmx-users] R: Re: R: Re: User tabulated potentials with cutoff-scheme = verlet, GROMACS 5.0.1 and 5.0.2   Mark Abraham
• [gmx-users] Running jobs between different Gromacs versions   Mustafa TEKPINAR
  • [gmx-users] Running jobs between different Gromacs versions   David van der Spoel
    • [gmx-users] Running jobs between different Gromacs versions   Tsjerk Wassenaar
• [gmx-users] Force field for phosphoserine   ashish bihani
  • [gmx-users] Force field for phosphoserine   Justin Lemkul
• [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
  • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
    • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Anurag Dobhal
      • [gmx-users] regarding GROMACS Tutorial KALP15 in DPPC   Justin Lemkul
• [gmx-users] parachem GMX   xy21hb
  • [gmx-users] parachem GMX   Justin Lemkul
• [gmx-users] g_rdf of differents proteins   Yara Alves
• [gmx-users] Martini force field - coarse grained protein tutorials   David Ackerman
  • [gmx-users] Martini force field - coarse grained protein tutorials   Justin Lemkul
• [gmx-users] NPT Equilibrium?   Johnny Lu
  • [gmx-users] NPT Equilibrium?   Tsjerk Wassenaar
    • [gmx-users] NPT Equilibrium?   Johnny Lu
• [gmx-users] (no subject)   AINUN NIZAR M
  • [gmx-users] (no subject)   César Ávila
• [gmx-users] Suggestion for Umbrella sampling and CAS   rama david
• [gmx-users] Polymer parameter   Lovika Moudgil
  • [gmx-users] Polymer parameter   Justin Lemkul
• [gmx-users] Gromacs 5.0.2 no parallei run   Jernej Zidar
  • [gmx-users] Gromacs 5.0.2 no parallei run   Szilárd Páll
    • [gmx-users] Gromacs 5.0.2 no parallei run   Szilárd Páll
• [gmx-users] tail correction in surface tension   Yu, Decai
• [gmx-users] Why should I repeat my simulation?   fatemeh ramezani
  • [gmx-users] Why should I repeat my simulation?   Justin Lemkul
    • [gmx-users] Why should I repeat my simulation?   massimo sandal
      • [gmx-users] Why should I repeat my simulation?   João M. Damas
  • [gmx-users] Why should I repeat my simulation?   Dr. Vitaly Chaban
• [gmx-users] How to calculate RMSD for each residue   Mass
• [gmx-users] constraint and restraints   niyaz.sabir
  • [gmx-users] constraint and restraints   Tsjerk Wassenaar
    • [gmx-users] constraint and restraints   niyaz.sabir
      • [gmx-users] constraint and restraints   Tsjerk Wassenaar
• [gmx-users] Invalid order for directive bondtypes   Atila Petrosian
  • [gmx-users] Invalid order for directive bondtypes   Mark Abraham
• [gmx-users] Suggestion on Umbrella sampling and peptide synthesis   rama david
• [gmx-users] Suggestion on Umbrella sampling and peptide design   rama david
• [gmx-users] Lithium Ions in Gromos53A6   Hardy, Adam
  • [gmx-users] Lithium Ions in Gromos53A6   Dr. Vitaly Chaban
• [gmx-users] do_dssp   Mahboobeh Eslami
• [gmx-users] Invalid order for directive bondtypes   Atila Petrosian
  • [gmx-users] Invalid order for directive bondtypes   Mark Abraham
• [gmx-users] Invalid order for directive bondtypes   Atila Petrosian
• [gmx-users] can not split pdb beyond 1019   gromacs query
  • [gmx-users] can not split pdb beyond 1019   Mark Abraham
• [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Johnny Lu
  • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Johnny Lu
    • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Johnny Lu
      • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Guillaume Chevrot
    • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Mark Abraham
      • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Johnny Lu
      • [gmx-users] NVE Energy drop in Mixed Precision 4.6.7   Mark Abraham
• [gmx-users] Can Gromacs do this?   折晓会
  • [gmx-users] Can Gromacs do this?   Justin Lemkul
• [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
  • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
    • [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
      • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
      • [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
      • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
• [gmx-users] Polarisable (hydronium and hydroxide) model compatible with graphene?   Kester Wong
• [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   Abhi Acharya
• [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   Abhi Acharya
  • [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   Scott Dean
    • [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   David van der Spoel
      • [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   Abhi Acharya
      • [gmx-users] Non-integer charges when using scaled-topology files for REST2 simulation.   David van der Spoel
• [gmx-users] Mutation   susanta haldar
• [gmx-users] Regarding msd   pratibha kapoor
  • [gmx-users] Regarding msd   pratibha kapoor
  • [gmx-users] Regarding msd   rajat desikan
    • [gmx-users] Regarding msd   Justin Lemkul
      • [gmx-users] Regarding msd   rajat desikan
• [gmx-users] Dead inflategro.pl link?   andrew biedermann
  • [gmx-users] Dead inflategro.pl link?   Justin Lemkul
• [gmx-users] TPI calculation in desired coordinates   Kim Q Hwan
  • [gmx-users] TPI calculation in desired coordinates   João M. Damas
    • [gmx-users] TPI calculation in desired coordinates   Kim Q Hwan
• [gmx-users] "Warning: For efficient BFGS minimization, use shift/switch/PME instead of cut-off"   GAYATHRI S
  • [gmx-users] "Warning: For efficient BFGS minimization, use shift/switch/PME instead of cut-off"   Justin Lemkul
• [gmx-users] BASIC FOUNDATION/CONCEPTS used in GROMACS   amitabh jayaswal
  • [gmx-users] BASIC FOUNDATION/CONCEPTS used in GROMACS   Justin Lemkul
    • [gmx-users] BASIC FOUNDATION/CONCEPTS used in GROMACS   Smith, Micholas D.
      • [gmx-users] BASIC FOUNDATION/CONCEPTS used in GROMACS   Mirco Wahab
• [gmx-users] Changing constraints algorithm.   Dawid das
  • [gmx-users] Changing constraints algorithm.   Justin Lemkul
    • [gmx-users] Changing constraints algorithm.   Dawid das
      • [gmx-users] Changing constraints algorithm.   Mark Abraham
• [gmx-users] Gromacs Version 5.0.2 - Bug #1603   Siva Dasetty
  • [gmx-users] Gromacs Version 5.0.2 - Bug #1603   Mark Abraham
    • [gmx-users] Gromacs Version 5.0.2 - Bug #1603   Siva Dasetty
      • [gmx-users] Gromacs Version 5.0.2 - Bug #1603   Mark Abraham
• [gmx-users] question about torsional potential fitting   Victor Rosas Garcia
  • [gmx-users] question about torsional potential fitting   André Farias de Moura
    • [gmx-users] question about torsional potential fitting   Victor Rosas Garcia
• [gmx-users] regarding generation of a topology file using Topolbuild   Sahithya S Iyer
• [gmx-users] regarding generation of a topology file using Topolbuild   Bruce D. Ray
• [gmx-users] atoms over 100,000   Albert
  • [gmx-users] atoms over 100,000   Erik Marklund
    • [gmx-users] atoms over 100,000   Albert
      • [gmx-users] atoms over 100,000   Erik Marklund
      • [gmx-users] atoms over 100,000   Albert
      • [gmx-users] atoms over 100,000   Justin Lemkul
      • [gmx-users] atoms over 100,000   Albert
      • [gmx-users] atoms over 100,000   Justin Lemkul
• [gmx-users] Running free energy tutorial for ionic molecules   vivek sharma
  • [gmx-users] Fwd: Running free energy tutorial for ionic molecules   vivek sharma
    • [gmx-users] Fwd: Running free energy tutorial for ionic molecules   Dallas Warren
• [gmx-users] v-rescale fatal error   Kester Wong
  • [gmx-users] v-rescale fatal error   Mark Abraham
    • [gmx-users] v-rescale fatal error   Kester Wong
      • [gmx-users] v-rescale fatal error   Justin Lemkul
      • [gmx-users] v-rescale fatal error   Kester Wong
      • [gmx-users] v-rescale fatal error   Mark Abraham
      • [gmx-users] v-rescale fatal error   Kester Wong
• [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   rama david
  • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   Justin Lemkul
    • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   rama david
      • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   Justin Lemkul
      • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   rama david
      • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   rama david
      • [gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro   Justin Lemkul
• [gmx-users] do_dssp problem   Mahboobeh Eslami
  • [gmx-users] do_dssp problem   Marianne Schulte
• [gmx-users] do_dssp problem   Mahboobeh Eslami
• [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
  • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
• [gmx-users] Regarding spatial distribution data analysis   Venkat Reddy
• [gmx-users] Pres-XX and Pres-YY difference   Johnny Lu
  • [gmx-users] Pres-XX and Pres-YY difference   Johnny Lu
    • [gmx-users] Pres-XX and Pres-YY difference   Johnny Lu
• [gmx-users] Free Energy Change of Growing a Molecule   Barnett, James W
  • [gmx-users] Free Energy Change of Growing a Molecule   Justin Lemkul
• [gmx-users] Use NVT to mimic NVE   Johnny Lu
  • [gmx-users] Use NVT to mimic NVE   Johnny Lu
  • [gmx-users] Use NVT to mimic NVE   Mark Abraham
    • [gmx-users] Use NVT to mimic NVE   Antonio Baptista
      • [gmx-users] Use NVT to mimic NVE   Michael Shirts
  • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
    • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Antonio Baptista
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Dr. Vitaly Chaban
      • [gmx-users] Use NVT to mimic NVE   Michael Shirts
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Michael Shirts
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Michael Shirts
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Mark Abraham
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   Johnny Lu
      • [gmx-users] Use NVT to mimic NVE   David van der Spoel
• [gmx-users] intel compiler for AMD CPU?   Albert
  • [gmx-users] intel compiler for AMD CPU?   Johnny Lu
    • [gmx-users] intel compiler for AMD CPU?   Albert
      • [gmx-users] intel compiler for AMD CPU?   Johnny Lu
      • [gmx-users] intel compiler for AMD CPU?   Szilárd Páll
  • [gmx-users] intel compiler for AMD CPU?   Szilárd Páll
• [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Олег Титов
  • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Mark Abraham
    • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Олег Титов
      • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Mark Abraham
      • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Олег Титов
      • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Szilárd Páll
      • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Олег Титов
      • [gmx-users] Performance degradation for Verlet cutoff-scheme compared to group   Dr. Vitaly Chaban
• [gmx-users] Pressure drop and atomic acceleration in nano-channel   朱文鹏
• [gmx-users] Acetone parameters and transferability question   Ioanna Styliari
  • [gmx-users] Acetone parameters and transferability question   Justin Lemkul
• [gmx-users] Gromacs API AnalysisData Class   Yunlong Liu
  • [gmx-users] Gromacs API AnalysisData Class   David van der Spoel
• [gmx-users] Acetone parameters and transferability question   Ioanna Styliari
  • [gmx-users] Acetone parameters and transferability question   Dr. Vitaly Chaban
  • [gmx-users] Acetone parameters and transferability question   Justin Lemkul
• [gmx-users] Acetone parameters and transferability question   Ioanna Styliari
  • [gmx-users] Acetone parameters and transferability question   Justin Lemkul
• [gmx-users] entangled polymer chain   unipa
  • [gmx-users] entangled polymer chain   Justin Lemkul
• [gmx-users] asking for suggestings on conserved energy calcualtion in NVT when using V-rescale thermostat   执念
• [gmx-users] Regarding umbrella samplling   Sathish Kumar
  • [gmx-users] Regarding umbrella samplling   Johnny Lu
    • [gmx-users] Regarding umbrella samplling   Dr. Vitaly Chaban
    • [gmx-users] Regarding umbrella samplling   Sathish Kumar
      • [gmx-users] Regarding umbrella samplling   Sathish Kumar
      • [gmx-users] Regarding umbrella samplling   Justin Lemkul
      • [gmx-users] Regarding umbrella samplling   Sathish Kumar
• [gmx-users] same input tpr same results?   Albert
  • [gmx-users] same input tpr same results?   Mark Abraham
• [gmx-users] asking for suggestings on conserved energy calcualtion in NVT when using V-rescale thermostat   执念
• [gmx-users] Redirecting trajectories from one gmx module to another   Machtens, Jan-Philipp
  • [gmx-users] Redirecting trajectories from one gmx module to another   Mark Abraham
• [gmx-users] Distance Restraints set for water-ion cluster in gas phase (vacuum)   liuyong_1007 at dicp.ac.cn
  • [gmx-users] Distance Restraints set for water-ion cluster in gas phase (vacuum)   Justin Lemkul
• [gmx-users] Fatal error: Atom O in residue BTC 1 not found in rtp entry with 156 atoms while sorting atoms   Nilesh Dhumal
  • [gmx-users] Fatal error: Atom O in residue BTC 1 not found in rtp entry with 156 atoms while sorting atoms   Justin Lemkul
• [gmx-users] PMF Profiles using Free Energy Perturbation(FEP) method.   Kim Q Hwan
• [gmx-users] Error on gromacs running: Attempting to read a checkpoint file of version 15 with code of version 12   ookami a
  • [gmx-users] Error on gromacs running: Attempting to read a checkpoint file of version 15 with code of version 12   Justin Lemkul
• [gmx-users] grompp Segmentation fault   Nilesh Dhumal
  • [gmx-users] grompp Segmentation fault   Justin Lemkul
    • [gmx-users] grompp Segmentation fault   Nilesh Dhumal
• [gmx-users] regarding confout.gro   RINU KHATTRI
  • [gmx-users] regarding confout.gro   Justin Lemkul
    • [gmx-users] regarding confout.gro   RINU KHATTRI
      • [gmx-users] regarding confout.gro   Justin Lemkul
• [gmx-users] Free energy calculation of   Batdorj Batsaikhan
• [gmx-users] Problem with constraints in NVT calculations.   Kester Wong
  • [gmx-users] Problem with constraints in NVT calculations.   Justin Lemkul
• [gmx-users] Conserved energy ("Conserved En.") in NVT simulation   Wade
  • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation   Mark Abraham
• [gmx-users] Using Gpus on multiple nodes. (Feature #1591)   Siva Dasetty
  • [gmx-users] Using Gpus on multiple nodes. (Feature #1591)   Mark Abraham
    • [gmx-users] Using Gpus on multiple nodes. (Feature #1591)   Siva Dasetty
• [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Batdorj Batsaikhan
  • [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Justin Lemkul
    • [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Batdorj Batsaikhan
      • [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Justin Lemkul
      • [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Batdorj Batsaikhan
• [gmx-users] 2-D liquid   Cai
  • [gmx-users] 2-D liquid   Dr. Vitaly Chaban
  • [gmx-users] 2-D liquid   Mirco Wahab
• [gmx-users] (no subject)   Padmani Sandhu
  • [gmx-users] (no subject)   Dr. Vitaly Chaban
• [gmx-users] Using Gpus on multiple nodes. (Feature #1591)   Trayder Thomas
• [gmx-users] retaining the active site water molecules in the protein -reg   venkatesh s
  • [gmx-users] retaining the active site water molecules in the protein -reg   Justin Lemkul
• [gmx-users] CAKot8D6knnhu1_vHLDfCzF-_Zsw+85jScMbho=st6Qg3P3JneQ at mail.gmail.com   Padmani Sandhu
  • [gmx-users] Unstable system [was: (no subject)]   Justin Lemkul
• [gmx-users] Velocity Verlet integrator   Mario Fernández Pendás
  • [gmx-users] Velocity Verlet integrator   Justin Lemkul
    • [gmx-users] Velocity Verlet integrator   Mario Fernández Pendás
      • [gmx-users] Velocity Verlet integrator   Michael Shirts
      • [gmx-users] Velocity Verlet integrator   Mario Fernández Pendás
      • [gmx-users] Velocity Verlet integrator   Michael Shirts
      • [gmx-users] Velocity Verlet integrator   Mario Fernández Pendás
• [gmx-users] how to build topology   Victor Rosas Garcia
  • [gmx-users] how to build topology   Dr. Vitaly Chaban
    • [gmx-users] how to build topology   Victor Rosas Garcia
      • [gmx-users] how to build topology   Justin Lemkul
      • [gmx-users] how to build topology   Victor Rosas Garcia
      • [gmx-users] how to build topology   Justin Lemkul
      • [gmx-users] how to build topology   Victor Rosas Garcia
• [gmx-users] Unstable system [was: (no subject)]   Padmani Sandhu
  • [gmx-users] Unstable system [was: (no subject)]   Justin Lemkul
• [gmx-users] How to add iron parameter?   Guangyu Zhu
  • [gmx-users] How to add iron parameter?   Johnny Lu
    • [gmx-users] How to add iron parameter?   Johnny Lu
    • [gmx-users] How to add iron parameter?   Justin Lemkul
  • [gmx-users] How to add iron parameter?   Dr. Vitaly Chaban
• [gmx-users] g_dist as an alternative for g_saltbr   Diogo Martins de Sá
• [gmx-users] g_dist as an alternative for g_saltbr   Diogo Martins de Sá
  • [gmx-users] g_dist as an alternative for g_saltbr   Justin Lemkul
• [gmx-users] Unstable system [was: (no subject)]   Padmani Sandhu
  • [gmx-users] Unstable system [was: (no subject)]   Justin Lemkul
• [gmx-users] free energy calculation   elham tazikeh
  • [gmx-users] free energy calculation   Justin Lemkul
• [gmx-users] Problem implementing REST   carlo martinotti
  • [gmx-users] Problem implementing REST   Mark Abraham
    • [gmx-users] Problem implementing REST   carlo martinotti
      • [gmx-users] Problem implementing REST   Mark Abraham
• [gmx-users] free energy of methan   elham tazikeh
• [gmx-users] How to calculate protein-surface interaction energy   James Lord
  • [gmx-users] Fwd: How to calculate protein-surface interaction energy   James Lord
    • [gmx-users] Fwd: How to calculate protein-surface interaction energy   James Lord
  • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
    • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
• [gmx-users] MD workstation   Hadházi Ádám
  • [gmx-users] MD workstation   Mirco Wahab
    • [gmx-users] MD workstation   Hadházi Ádám
      • [gmx-users] MD workstation   Mirco Wahab
      • [gmx-users] MD workstation   Hadházi Ádám
      • [gmx-users] MD workstation   Szilárd Páll
      • [gmx-users] MD workstation   lloyd riggs
      • [gmx-users] MD workstation   Hadházi Ádám
      • [gmx-users] MD workstation   Szilárd Páll
      • [gmx-users] MD workstation   Hadházi Ádám
      • [gmx-users] MD workstation   Szilárd Páll
• [gmx-users] do_x3dna: A tool to analyze structural fluctuations of DNA/RNA during simulations   rajendra kumar
• [gmx-users] The flat-bottomed position restrain in the topolgy file   liuyong_1007 at dicp.ac.cn
  • [gmx-users] The flat-bottomed position restrain in the topolgy file   Justin Lemkul
• [gmx-users] TWO AMINOACIDS WITH SAME NUMBER IN .GRO FILE   Michetti Davide
  • [gmx-users] TWO AMINOACIDS WITH SAME NUMBER IN .GRO FILE   Justin Lemkul
• [gmx-users] free energy calculation for methane   elham tazikeh
  • [gmx-users] free energy calculation for methane   Justin Lemkul
• [gmx-users] Turning off electrostatic interactions between two proteins   Ozlem Ulucan
• [gmx-users] error in free energy calculation   elham tazikeh
  • [gmx-users] error in free energy calculation   Justin Lemkul
• [gmx-users] Multiple writing to same trajectory issue   Matthias Ernst
  • [gmx-users] Multiple writing to same trajectory issue   Mark Abraham
    • [gmx-users] Multiple writing to same trajectory issue   Matthias Ernst
• [gmx-users] BCAM Internship Position Announcement   Mario Fernández Pendás
• [gmx-users] Parameter conversion from GAFF to Gromacs   Rohit Farmer
  • [gmx-users] Parameter conversion from GAFF to Gromacs   Justin Lemkul
    • [gmx-users] Parameter conversion from GAFF to Gromacs   Rohit Farmer
• [gmx-users] .gro file units   Nilesh Dhumal
  • [gmx-users] .gro file units   Eric Smoll
• [gmx-users] pdb2gmx ffG43a1 force field   Nilesh Dhumal
  • [gmx-users] pdb2gmx ffG43a1 force field   Justin Lemkul
• [gmx-users] Issue building 5.0.2 release for GPU   Éric Germaneau
• [gmx-users] Issue building 5.0.2 release for GPU   Roland Schulz
  • [gmx-users] Issue building 5.0.2 release for GPU   Éric Germaneau
• [gmx-users] fatal error in gromacs   Yaser Hosseini
  • [gmx-users] fatal error in gromacs   Justin Lemkul
• [gmx-users] Not achieving any speedup using Open MPI   Rytis Slatkevičius
  • [gmx-users] Not achieving any speedup using Open MPI   Da-Wei Li
    • [gmx-users] Not achieving any speedup using Open MPI   Johnny Lu
      • [gmx-users] Not achieving any speedup using Open MPI   Rytis Slatkevičius
      • [gmx-users] Not achieving any speedup using Open MPI   Mark Abraham
    • [gmx-users] Not achieving any speedup using Open MPI   Rytis Slatkevičius
      • [gmx-users] Not achieving any speedup using Open MPI   Mark Abraham
      • [gmx-users] Not achieving any speedup using Open MPI   Szilárd Páll
• [gmx-users] pressure dependence on volume.   Johnny Lu
  • [gmx-users] pressure dependence on volume.   Johnny Lu
    • [gmx-users] pressure dependence on volume.   Justin Lemkul
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Dr. Vitaly Chaban
      • [gmx-users] pressure dependence on volume.   Tsjerk Wassenaar
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Tsjerk Wassenaar
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Johnny Lu
      • [gmx-users] pressure dependence on volume.   Mark Abraham
      • [gmx-users] pressure dependence on volume.   Dr. Vitaly Chaban
      • [gmx-users] pressure dependence on volume.   Johnny Lu
• [gmx-users] Simulation Crash   Udaya Dahal
• [gmx-users] g_dist as an alternative for g _saltbr   Diogo Martins de Sá
  • [gmx-users] g_dist as an alternative for g _saltbr   Justin Lemkul
• [gmx-users] g_dist as an alternative for g _saltbr   Diogo Martins de Sá
• [gmx-users] How to calculate protein-surface interaction energy   Diogo Martins de Sá
• [gmx-users] How to calculate protein-surface interaction energy   Diogo Martins de Sá
  • [gmx-users] How to calculate protein-surface interaction energy   James Lord
    • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
• [gmx-users] pdb2gmx ffG43a1 force field   Nilesh Dhumal
  • [gmx-users] pdb2gmx ffG43a1 force field   Justin Lemkul
    • [gmx-users] pdb2gmx ffG43a1 force field   Nilesh Dhumal
      • [gmx-users] pdb2gmx ffG43a1 force field   Justin Lemkul
• [gmx-users] g_dist as an alternative for g _saltbr   Diogo Martins de Sá
  • [gmx-users] g_dist as an alternative for g _saltbr   Justin Lemkul
• [gmx-users] Understanding comments in pdb2gmx output   Agnivo Gosai
  • [gmx-users] Understanding comments in pdb2gmx output   Johnny Lu
  • [gmx-users] Understanding comments in pdb2gmx output   Justin Lemkul
• [gmx-users] SWM4-NDP force field   Kester Wong
  • [gmx-users] SWM4-NDP force field   Dr. Vitaly Chaban
    • [gmx-users] SWM4-NDP force field   Kester Wong
      • [gmx-users] SWM4-NDP force field   Dr. Vitaly Chaban
• [gmx-users] free energy for ethanol   elham tazikeh
  • [gmx-users] free energy for ethanol   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 126, Issue 66   Wade
• [gmx-users] Check for Vacuum Bubbles & Density   Johnny Lu
• [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Wade
  • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
    • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
      • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
  • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Mark Abraham
    • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
      • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
      • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
      • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
• [gmx-users] Understanding comments in pdb2gmx output   Agnivo Gosai
  • [gmx-users] Understanding comments in pdb2gmx output   Justin Lemkul
  • [gmx-users] Understanding comments in pdb2gmx output   Mark Abraham
• [gmx-users] boron atom parameter   fatemeh ramezani
  • [gmx-users] boron atom parameter   Justin Lemkul
• [gmx-users] boron atom parameter   Justin Lemkul
• [gmx-users] How to calculate protein-surface interaction energy   Diogo Martins de Sá
  • [gmx-users] How to calculate protein-surface interaction energy   James Lord
    • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
      • [gmx-users] How to calculate protein-surface interaction energy   James Lord
      • [gmx-users] How to calculate protein-surface interaction energy   Justin Lemkul
• [gmx-users] How long run should be enough for Free Energy Calculation of a protein?   Batdorj Batsaikhan
• [gmx-users] free energy problem   elham tazikeh
  • [gmx-users] free energy problem   Justin Lemkul
• [gmx-users] how to treat the peptide apart from the ligand -reg   venkatesh s
  • [gmx-users] how to treat the peptide apart from the ligand -reg   venkatesh s
    • [gmx-users] how to treat the peptide apart from the ligand -reg   Justin Lemkul
• [gmx-users] NaCl force field with GROMOS 54A7   Jason Grosch
  • [gmx-users] NaCl force field with GROMOS 54A7   Thomas Piggot
• [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Wade
  • [gmx-users] Conserved energy ("Conserved En.") in NVT simulation (Wade)   Johnny Lu
• [gmx-users] change the mode   Gianfranco Bocchinfuso
• [gmx-users] OPLSAA   Eric Smoll
  • [gmx-users] OPLSAA   Justin Lemkul
    • [gmx-users] OPLSAA   Dr. Vitaly Chaban
• [gmx-users] Parameter dump   Eric Smoll
  • [gmx-users] Parameter dump   Dallas Warren
• [gmx-users] free energy question   elham tazikeh
  • [gmx-users] free energy question   Justin Lemkul
• [gmx-users] free energy calculation   RINU KHATTRI
  • [gmx-users] free energy calculation   Justin Lemkul
• [gmx-users] help   玻耳兹曼
  • [gmx-users] help   Justin Lemkul
• [gmx-users] Fatal error:No molecules were defined in the system   Nilesh Dhumal
  • [gmx-users] Fatal error:No molecules were defined in the system   Justin Lemkul
    • [gmx-users] Fatal error:No molecules were defined in the system   Nilesh Dhumal
      • [gmx-users] Fatal error:No molecules were defined in the system   Justin Lemkul
      • [gmx-users] Membrane simulations   lloyd riggs
      • [gmx-users] Membrane simulations   Smith, Micholas D.
      • [gmx-users] Membrane simulations   Justin Lemkul
• [gmx-users] Accelerated MD   Douglas Houston
  • [gmx-users] Accelerated MD   Patrick Fuchs
• [gmx-users] difference between Pulling and Acceleration?   Tom
  • [gmx-users] difference between Pulling and Acceleration?   Justin Lemkul
• [gmx-users] Calculating intermolecular water interactions   Jackson Chief Elk
  • [gmx-users] Calculating intermolecular water interactions   Justin Lemkul
    • [gmx-users] Calculating intermolecular water interactions   Jackson Chief Elk
• [gmx-users] Force field for unstructured protein   Netaly Khazanov
  • [gmx-users] Force field for unstructured protein   ms
• [gmx-users] Static structure factor   Francesco Mambretti
• [gmx-users] CHARMM-GUI: new features for GROMACS   Justin Lemkul
• [gmx-users] question about topologies   Marcello Cammarata
  • [gmx-users] question about topologies   Justin Lemkul
• [gmx-users] GPU performance in Gromacs 5   Jian Yin
  • [gmx-users] GPU performance in Gromacs 5   Carsten Kutzner
• [gmx-users] Segmentation fault while diagonalizing covariance matrix using g_covar   Mendez Giraldez, Raul
  • [gmx-users] Segmentation fault while diagonalizing covariance matrix using g_covar   Mark Abraham
• [gmx-users] grompp fatal error in GROMACS version 4.5.7   Agnivo Gosai
  • [gmx-users] grompp fatal error in GROMACS version 4.5.7   Justin Lemkul
• [gmx-users] it is very slowly to run gromacs with OpenMPI   Vinson Leung
  • [gmx-users] it is very slowly to run gromacs with OpenMPI   Mark Abraham
• [gmx-users] charge group moved too far between two domain decomposition steps?   Kester Wong
  • [gmx-users] charge group moved too far between two domain decomposition steps?   Mark Abraham
    • [gmx-users] charge group moved too far between two domain decomposition step   Kester Wong
      • [gmx-users] charge group moved too far between two domain decomposition step   Mark Abraham
• [gmx-users] add Mn in itp file   yaser
  • [gmx-users] add Mn in itp file   Justin Lemkul
    • [gmx-users] add Mn in itp file   andrea
• [gmx-users] Gromacs 5.0.2 installation on Stampede   Amrash
• [gmx-users] Implementation of SHAKE   Mario Fernández Pendás
  • [gmx-users] Implementation of SHAKE   Mark Abraham
    • [gmx-users] Implementation of SHAKE   Mario Fernández Pendás
• [gmx-users] Understanding g_energy output in GROMACS 4.5.7   Agnivo Gosai
  • [gmx-users] Understanding g_energy output in GROMACS 4.5.7   Justin Lemkul
• [gmx-users] Gromacs 5.0.2 installation on Stampede   Roland Schulz
• [gmx-users] run g-msd using more than one core   Xiaobin Cao
  • [gmx-users] run g-msd using more than one core   Justin Lemkul
• [gmx-users] charge group moved too far between two domain decomposition step   Kester Wong
  • [gmx-users] charge group moved too far between two domain decomposition step   Justin Lemkul
    • [gmx-users] charge group moved too far between two domain decomposition step   Kester Wong
      • [gmx-users] charge group moved too far between two domain decomposition step   Justin Lemkul
• [gmx-users] how can i install sse4.1 and avx_256   Yaser Hosseini
  • [gmx-users] how can i install sse4.1 and avx_256   Milan Melicherčík
  • [gmx-users] how can i install sse4.1 and avx_256   Justin Lemkul
• [gmx-users] how to generate executable file "g_energy_mpi" ?   Vinson Leung
  • [gmx-users] how to generate executable file "g_energy_mpi" ?   Justin Lemkul
    • [gmx-users] how to generate executable file "g_energy_mpi" ?   Vinson Leung
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Justin Lemkul
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Vinson Leung
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Justin Lemkul
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Vinson Leung
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Justin Lemkul
      • [gmx-users] how to generate executable file "g_energy_mpi" ?   Vinson Leung
• [gmx-users] binding Free energy   Urszula Uciechowska
  • [gmx-users] binding Free energy   Justin Lemkul
    • [gmx-users] binding Free energy   andrea
  • [gmx-users] binding Free energy   Erik Marklund
• [gmx-users] Question   Eric Smoll
  • [gmx-users] Question   Justin Lemkul
    • [gmx-users] Question   Eric Smoll
• [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
  • [gmx-users] error in the middle of running mdrun_mpi   Mark Abraham
• [gmx-users] Conserved quantity in NPT simulations   Paolo Franz
  • [gmx-users] Conserved quantity in NPT simulations   Michael Shirts
    • [gmx-users] Conserved quantity in NPT simulations   Paolo Franz
• [gmx-users] installing on macbook   Suraya Abdul Sani
  • [gmx-users] installing on macbook   Justin Lemkul
    • [gmx-users] installing on macbook   Nizar Masbukhin
• [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
  • [gmx-users] error in the middle of running mdrun_mpi   Justin Lemkul
    • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Justin Lemkul
      • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Justin Lemkul
      • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Justin Lemkul
      • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Mark Abraham
      • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Nizar Masbukhin
      • [gmx-users] error in the middle of running mdrun_mpi   Justin Lemkul
• [gmx-users] use of Walls in Martini simulations   Ramon Reigada
  • [gmx-users] use of Walls in Martini simulations   HANNIBAL LECTER
• [gmx-users] numerical matrix from xpm file   João M. Damas
• [gmx-users] Question about "Walls"   ramon
• [gmx-users] Cannot combine residue position based cog selection with index output for g_select   Huang Dongxu
  • [gmx-users] Cannot combine residue position based cog selection with index output for g_select   Mark Abraham
• [gmx-users] Simulating Multiple Solute Particles   Nathan K Houtz
  • [gmx-users] Simulating Multiple Solute Particles   Mark Abraham
    • [gmx-users] Simulating Multiple Solute Particles   Nathan K Houtz
      • [gmx-users] Simulating Multiple Solute Particles   Justin Lemkul
  • [gmx-users] Simulating Multiple Solute Particles   Dr. Vitaly Chaban
• [gmx-users] To: gmx users p   David de Sancho
• [gmx-users] In itp file from prodrg, what is C0 and C1 in bonds, angles and dihedrals section   fatemeh ramezani
  • [gmx-users] In itp file from prodrg, what is C0 and C1 in bonds, angles and dihedrals section   Justin Lemkul
• [gmx-users] In itp file from prodrg, what is C0 and C1 in bonds, angles and dihedrals section   Justin Lemkul
• [gmx-users] histo-clust.xvg from g_clustsize   Dr. Vitaly Chaban
• [gmx-users] g_distMat: A tool to calculate average min-distance matrix on multiple CPU cores   rajendra kumar
• [gmx-users] how to make statistics?   Albert
  • [gmx-users] how to make statistics?   Mark Abraham
• [gmx-users] trjconv gets stuck on frame   Eric Smoll
  • [gmx-users] trjconv gets stuck on frame   Mark Abraham
    • [gmx-users] trjconv gets stuck on frame   Eric Smoll
      • [gmx-users] trjconv gets stuck on frame   Mark Abraham
      • [gmx-users] trjconv gets stuck on frame   Eric Smoll
      • [gmx-users] trjconv gets stuck on frame   Mark Abraham
• [gmx-users] Selecting box dimension and COM position - Pull Code   Agnivo Gosai
  • [gmx-users] Selecting box dimension and COM position - Pull Code   Justin Lemkul
• [gmx-users] Umbrella Sampling tutorial by Dr. Justin Lemkul   Agnivo Gosai
  • [gmx-users] Umbrella Sampling tutorial by Dr. Justin Lemkul   Justin Lemkul
• [gmx-users] Time averaged ramachandran plot   Sanku M
  • [gmx-users] Time averaged ramachandran plot   Justin Lemkul
    • [gmx-users] Time averaged ramachandran plot   andrea
      • [gmx-users] Time averaged ramachandran plot   andrea
      • [gmx-users] Time averaged ramachandran plot   Tsjerk Wassenaar
• [gmx-users] Integrity of .trr file + center coordinates   Eric Smoll
• [gmx-users] How to save trajectories of our interest into vmd   Seera Suryanarayana
  • [gmx-users] How to save trajectories of our interest into vmd   Vinay Randhawa
  • [gmx-users] How to save trajectories of our interest into vmd   Justin Lemkul
• [gmx-users] MD workstation for Gromacs   Mohammad Hossein Borghei
  • [gmx-users] MD workstation for Gromacs   Carsten Kutzner
    • [gmx-users] MD workstation for Gromacs   Adelman, Joshua Lev
      • [gmx-users] MD workstation for Gromacs   Abhi Acharya
• [gmx-users] webpage for searching gromacs mailing archive   Sanku M
  • [gmx-users] webpage for searching gromacs mailing archive   Justin Lemkul
• [gmx-users] Naughty Vacuum Bubble in our Vesicle!   Björn Sommer
  • [gmx-users] Naughty Vacuum Bubble in our Vesicle!   André Farias de Moura
    • [gmx-users] Naughty Vacuum Bubble in our Vesicle!   rajat desikan
• [gmx-users] Naughty Vacuum Bubble in our Vesicle   ABEL Stephane 175950
• [gmx-users] graphene top file   fatemeh ramezani
  • [gmx-users] graphene top file   Justin Lemkul
• [gmx-users] Naughty Vacuum Bubble in our Vesicle   Björn Sommer
  • [gmx-users] Naughty Vacuum Bubble in our Vesicle   rajat desikan
  • [gmx-users] Naughty Vacuum Bubble in our Vesicle   André Farias de Moura
• [gmx-users] Using make_ndx to couple molecules before pulling simulation   Agnivo Gosai
  • [gmx-users] Using make_ndx to couple molecules before pulling simulation   Justin Lemkul
• [gmx-users] Naughty Vacuum Bubble in our Vesicle   Björn Sommer
  • [gmx-users] Naughty Vacuum Bubble in our Vesicle   Justin Lemkul
    • [gmx-users] Naughty Vacuum Bubble in our Vesicle   Patrick Fuchs
      • [gmx-users] Naughty Vacuum Bubble in our Vesicle   André Farias de Moura
      • [gmx-users] MD for DNA structure   Urszula Uciechowska
      • [gmx-users] MD for DNA structure   Justin Lemkul
• [gmx-users] question about walls for a simple water box   ramon
  • [gmx-users] question about walls for a simple water box   Urszula Uciechowska
    • [gmx-users] combine tpr files?   Urszula Uciechowska
      • [gmx-users] combine tpr files?   Justin Lemkul
• [gmx-users] Martini + Elnedyn   Adriana Garro
  • [gmx-users] Martini + Elnedyn   Tsjerk Wassenaar
    • [gmx-users] Martini + Elnedyn   Adriana Garro
• [gmx-users] How fshift array works?   jia jia
  • [gmx-users] How fshift array works?   David van der Spoel
    • [gmx-users] How fshift array works?   jia jia
• [gmx-users] The last line in a .gro file   Agnivo Gosai
  • [gmx-users] The last line in a .gro file   Mark Abraham
    • [gmx-users] The last line in a .gro file   Tsjerk Wassenaar
• [gmx-users] Calculating intermolecular energies of water   Jackson Chief Elk
  • [gmx-users] Calculating intermolecular energies of water   David van der Spoel
    • [gmx-users] Calculating intermolecular energies of water   Mark Abraham
    • [gmx-users] Calculating intermolecular energies of water   Jackson Chief Elk
      • [gmx-users] Calculating intermolecular energies of water   Justin Lemkul
• [gmx-users] Silica monolayer with Martini force field   RAMON REIGADA SANZ
  • [gmx-users] Silica monolayer with Martini force field   André Farias de Moura
    • [gmx-users] Silica monolayer with Martini force field   Dr. Vitaly Chaban
      • [gmx-users] Silica monolayer with Martini force field   André Farias de Moura
• [gmx-users] Free energy in implicit solvent   Nizar Masbukhin
  • [gmx-users] Free energy in implicit solvent   David van der Spoel
    • [gmx-users] Free energy in implicit solvent   Nizar Masbukhin
      • [gmx-users] Version 12   lloyd riggs
      • [gmx-users] Version 12   Mark Abraham
• [gmx-users] pdb2gmx   Eric Smoll
  • [gmx-users] pdb2gmx   Mark Abraham
    • [gmx-users] pdb2gmx   Eric Smoll
      • [gmx-users] pdb2gmx   Eric Smoll
      • [gmx-users] pdb2gmx   Justin Lemkul
      • [gmx-users] pdb2gmx   Justin Lemkul
• [gmx-users] How to implement LJ 6-12 function form?   Kester Wong
  • [gmx-users] How to implement LJ 6-12 function form?   Eric Smoll
    • [gmx-users] How to implement LJ 6-12 function form?   Kester Wong
      • [gmx-users] How to implement LJ 6-12 function form?   David van der Spoel
• [gmx-users] force-switch as vdv-modifier   Chandan Choudhury
  • [gmx-users] force-switch as vdv-modifier   Mark Abraham
    • [gmx-users] force-switch as vdv-modifier   Chandan Choudhury
      • [gmx-users] force-switch as vdv-modifier   Justin Lemkul
      • [gmx-users] force-switch as vdv-modifier   Mark Abraham
• [gmx-users] Long bond streches during simulations   Seera Suryanarayana
  • [gmx-users] Long bond streches during simulations   Justin Lemkul
  • [gmx-users] Long bond streches during simulations   Dr. Vitaly Chaban
• [gmx-users] Assigning mass to a virtual site   Kester Wong
  • [gmx-users] Assigning mass to a virtual site   Justin Lemkul
    • [gmx-users] Assigning mass to a virtual site   David van der Spoel
      • [gmx-users] Assigning mass to a virtual site   Justin Lemkul
      • [gmx-users] Assigning mass to a virtual site   Kester Wong
      • [gmx-users] Assigning mass to a virtual site   David van der Spoel
      • [gmx-users] Assigning mass to a virtual site   Kester Wong
• [gmx-users] Segmentation fault   Vo Cam Quy
  • [gmx-users] Segmentation fault   Justin Lemkul
• [gmx-users] bennet acceptance ratio   Ahmet yıldırım
• [gmx-users] Centring a protein complex   Rohit Farmer
  • [gmx-users] Centring a protein complex   Justin Lemkul
    • [gmx-users] Centring a protein complex   Rohit Farmer
      • [gmx-users] Centring a protein complex   Justin Lemkul
• [gmx-users] Pressure coupling and liquid crystals   Todor Antonijevic
  • [gmx-users] Pressure coupling and liquid crystals   André Farias de Moura
  • [gmx-users] Pressure coupling and liquid crystals   Dr. Vitaly Chaban
    • [gmx-users] Pressure coupling and liquid crystals   Todor Antonijevic
• [gmx-users] GLY dihedrals in amber03 family force fields   Tomek Wlodarski
  • [gmx-users] GLY dihedrals in amber03 family force fields   Justin Lemkul
    • [gmx-users] GLY dihedrals in amber03 family force fields   Tomek Wlodarski
      • [gmx-users] GLY dihedrals in amber03 family force fields   Justin Lemkul
• [gmx-users] Query of RMSD results   Sainitin Donakonda
  • [gmx-users] Query of RMSD results   Smith, Micholas D.
    • [gmx-users] Query of RMSD results   Sainitin Donakonda
      • [gmx-users] Query of RMSD results   Justin Lemkul
• [gmx-users] build itp file using martinize.py   Adriana Garro
  • [gmx-users] build itp file using martinize.py   Tsjerk Wassenaar
    • [gmx-users] build itp file using martinize.py   Adriana Garro
      • [gmx-users] build itp file using martinize.py   Tsjerk Wassenaar
• [gmx-users] gmx morse potential in manual   Robson da Silva
• [gmx-users] Understanding the results of NVT simulation   Agnivo Gosai
  • [gmx-users] Understanding the results of NVT simulation   Dr. Vitaly Chaban
  • [gmx-users] Understanding the results of NVT simulation   Dallas Warren
• [gmx-users] Packmol starting .pdb and proper equilibration   Ioanna Styliari
  • [gmx-users] Packmol starting .pdb and proper equilibration   Dr. Vitaly Chaban
  • [gmx-users] Packmol starting .pdb and proper equilibration   Justin Lemkul
• [gmx-users] Dangling bond error, -ter does not fix   LIPSCOMB, THOMAS
  • [gmx-users] Dangling bond error, -ter does not fix   Justin Lemkul
• [gmx-users] pseudo-random algorithm   Johnny Lu
• [gmx-users] pseudo-random algorithm   Roland Schulz
• [gmx-users] Regarding the Pi-Pi and pi-cation interaction   rama david
  • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Ivan Gladich
    • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   rama david
      • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Justin Lemkul
      • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   rama david
      • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Justin Lemkul
    • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Justin Lemkul
      • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Ivan Gladich
  • [gmx-users] Regarding the Pi-Pi and pi-cation interaction   Dr. Vitaly Chaban
• [gmx-users] Regarding umbrella samplling   Sathish Kumar
  • [gmx-users] Regarding umbrella samplling   Justin Lemkul
• [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Agnivo Gosai
  • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Dan Sponseller
    • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Tsjerk Wassenaar
  • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Dr. Vitaly Chaban
    • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Smith, Micholas D.
• [gmx-users] About the output information   Vinson Leung
  • [gmx-users] About the output information   Justin Lemkul
• [gmx-users] why the gas ethanol system has positive potential?   David van der Spoel
  • [gmx-users] why the gas ethanol system has positive potential?   Tsjerk Wassenaar
• [gmx-users] Cannot rename checkpoint file   Kannan S
  • [gmx-users] Cannot rename checkpoint file   Justin Lemkul
• [gmx-users] Packmol starting .pdb and proper equilibration   Ioanna Styliari
  • [gmx-users] hbond analysis   Urszula Uciechowska
    • [gmx-users] hbond analysis   Justin Lemkul
  • [gmx-users] Packmol starting .pdb and proper equilibration   Justin Lemkul
  • [gmx-users] Packmol starting .pdb and proper equilibration   Dr. Vitaly Chaban
• [gmx-users] SR and 14 terms for LJ and Coulomb interactions   Turgay Cakmak
  • [gmx-users] SR and 14 terms for LJ and Coulomb interactions   Mark Abraham
• [gmx-users] g_spatial   Stella Nickerson
• [gmx-users] Spacial density map   Stella Nickerson
  • [gmx-users] Spacial density map   Dallas Warren
    • [gmx-users] Spacial density map   andrea spitaleri
• [gmx-users] mdrun error message in Computing Cluster   Agnivo Gosai
  • [gmx-users] mdrun error message in Computing Cluster   Mark Abraham
• [gmx-users] helix twisted angle?   Albert
  • [gmx-users] helix twisted angle?   Tsjerk Wassenaar
• [gmx-users] trjcat   Eric Smoll
  • [gmx-users] trjcat   Tsjerk Wassenaar
  • [gmx-users] trjcat   Naga Rajesh Tummala
    • [gmx-users] trjcat   Eric Smoll
      • [gmx-users] trjcat   Tsjerk Wassenaar
• [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Agnivo Gosai
  • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Tsjerk Wassenaar
    • [gmx-users] NPT Simulation average pressure lower than Reference set pressure   Tsjerk Wassenaar

Last message date: Fri Oct 31 21:38:06 CET 2014
Archived on: Fri Oct 31 21:38:07 CET 2014

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