July 2018 Archives by date

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Starting: Sun Jul 1 00:39:53 CEST 2018
Ending: Tue Jul 31 22:34:23 CEST 2018
Messages: 499

[gmx-users] radial distribution function Justin Lemkul
[gmx-users] rerun Ahmed Mashaly
[gmx-users] Cannot find position restraint restraint.gro Baolin Huang
[gmx-users] Cannot find position restraint restraint.gro Alex
[gmx-users] Cannot find position restraint restraint.gro Baolin Huang
[gmx-users] Detail of MSD Calculation Method behnam ghalami
[gmx-users] radial distribution function kordzadeh at aut.ac.ir
[gmx-users] radial distribution function Jan Henning Peters
[gmx-users] Detail of MSD Calculation Method Mark Abraham
[gmx-users] Detail of MSD Calculation Method behnam ghalami
[gmx-users] Detail of MSD Calculation Method Justin Lemkul
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] Detail of MSD Calculation Method behnam ghalami
[gmx-users] [EXT] Re: Updated tutorials and new website Smith, Iris
[gmx-users] [EXT] Re: Updated tutorials and new website Justin Lemkul
[gmx-users] [EXT] Re: Updated tutorials and new website Shreyas Kaptan
[gmx-users] [EXT] Re: Updated tutorials and new website Alex
[gmx-users] [EXT] Re: Updated tutorials and new website Smith, Iris
[gmx-users] Updated tutorials and new website Oliver Beckstein
[gmx-users] Updated tutorials and new website David van der Spoel
[gmx-users] Updated tutorials and new website Mark Abraham
[gmx-users] Updated tutorials and new website Mark Abraham
[gmx-users] Updated tutorials and new website Justin Lemkul
[gmx-users] Updated tutorials and new website Shreyas Kaptan
[gmx-users] adkgromacstutorial error Mahmood
[gmx-users] adkgromacstutorial error Justin Lemkul
[gmx-users] adkgromacstutorial error Mahmood
[gmx-users] adkgromacstutorial error Justin Lemkul
[gmx-users] benchmarks Mahmood
[gmx-users] AdResS feature in gromacs Eduardo Diniz
[gmx-users] benchmarks Justin Lemkul
[gmx-users] freezing or constraining Alex
[gmx-users] AdResS feature in gromacs Mark Abraham
[gmx-users] AdResS feature in gromacs Eduardo Diniz
[gmx-users] AdResS feature in gromacs Jan Henning Peters
[gmx-users] adkgromacstutorial error Oliver Beckstein
[gmx-users] benchmarks Mahmood
[gmx-users] benchmarks Justin Lemkul
[gmx-users] AdResS feature in gromacs Eduardo Diniz
[gmx-users] AdResS feature in gromacs Jan Henning Peters
[gmx-users] Pulled group moves randomly while doing umbrella sampling Shayna Hilburg
[gmx-users] genion problem with topology gangotri dey
[gmx-users] genion problem with topology Shrinath Kumar
[gmx-users] genion problem with topology Justin Lemkul
[gmx-users] Rerun Ahmed Mashaly
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] [gmx-developers] Quick test after installation Justin Lemkul
[gmx-users] 500ns simulation Raag Saluja
[gmx-users] 500ns simulation Soham Sarkar
[gmx-users] Generating N2 topology Joshua Cummings
[gmx-users] 500ns simulation Quyen V. Vu
[gmx-users] 500ns simulation Soham Sarkar
[gmx-users] RV: Error energy minimization: No such moleculetype NA Gonzalez Fernandez, Cristina
[gmx-users] question regarding high temperature simulation in Gromacs Dr. Puspita Halder
[gmx-users] question regarding high temperature simulation in Gromacs David van der Spoel
[gmx-users] Potential energy reported by gmx energy command atb files
[gmx-users] gmx genion -neutral adds some opposite charge under some conditions Vytautas Rakeviius
[gmx-users] Potential energy reported by gmx energy command David van der Spoel
[gmx-users] Umbrella Sampling - Pulling distance larger 0.49 times box size Error during NPT equilibration Chenlin Lu
[gmx-users] question regarding high temperature simulation in Gromacs Dr. Puspita Halder
[gmx-users] question regarding high temperature simulation in Gromacs Quyen V. Vu
[gmx-users] freezing or constraining Dallas Warren
[gmx-users] freezing or constraining Justin Lemkul
[gmx-users] question regarding high temperature simulation in Gromacs Justin Lemkul
[gmx-users] Umbrella Sampling - Pulling distance larger 0.49 times box size Error during NPT equilibration Justin Lemkul
[gmx-users] Potential energy reported by gmx energy command atb files
[gmx-users] HIS as HID or HIE antonia vyrkou
[gmx-users] HIS as HID or HIE Justin Lemkul
[gmx-users] [EXT] Re: 500ns simulation Smith, Iris
[gmx-users] gmx rms vs. trjconv mhuhtala at abo.fi
[gmx-users] Is any plan to implement the energy group exclusions for verlet cutoff scheme 1185201182
[gmx-users] rerun from random seeds MD
[gmx-users] HIS as HID or HIE Quyen V. Vu
[gmx-users] gmx rms vs. trjconv mhuhtala at abo.fi
[gmx-users] how to reassign velocities in the .mdp file effectively? MD
[gmx-users] how to reassign velocities in the .mdp file effectively? mhuhtala at abo.fi
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Tacticity in polymer simulation Debadutta Prusty
[gmx-users] question regarding high temperature simulation in Gromacs Dr. Puspita Halder
[gmx-users] question regarding high temperature simulation in Gromacs Mark Abraham
[gmx-users] histogram of distance between similar molecules Srinivasa Ramisetti
[gmx-users] Thermal gradient in a system Sabreen Farnaz
[gmx-users] GPU+Energy Groups Neda Rafiee
[gmx-users] How to change to heavyh in an equilibrated system Ramon Crehuet
[gmx-users] Coarse graining carbon nanotubes and MARTINI Raman Preet Singh
[gmx-users] ZnO Parameters zaved at tezu.ernet.in
[gmx-users] question regarding high temperature simulation in Gromacs Dr. Puspita Halder
[gmx-users] ZnO Parameters ali akgün
[gmx-users] How to change to heavyh in an equilibrated system Justin Lemkul
[gmx-users] histogram of distance between similar molecules Justin Lemkul
[gmx-users] histogram of distance between similar molecules Srinivasa Ramisetti
[gmx-users] histogram of distance between similar molecules Justin Lemkul
[gmx-users] question regarding high temperature simulation in Gromacs Mark Abraham
[gmx-users] GPU+Energy Groups Mark Abraham
[gmx-users] umbrella sampling tutorial hosein geraili
[gmx-users] gmx convert-tpr tool is not found but tpbconv_mpi is present in gromacs 5.0.4 Santanu Santra
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] gmx convert-tpr tool is not found but tpbconv_mpi is present in gromacs 5.0.4 Justin Lemkul
[gmx-users] Queries regarding temperature gradient Justin Lemkul
[gmx-users] umbrella sampling tutorial Justin Lemkul
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Tacticity in polymer simulation Debadutta Prusty
[gmx-users] GPU+Energy Groups Neda Rafiee
[gmx-users] How to get the complete molecule? Anjana Jayasinghe
[gmx-users] Force field parameter Soham Sarkar
[gmx-users] Force field parameter Mark Abraham
[gmx-users] Force field parameter Soham Sarkar
[gmx-users] building GROMACS 2018.2 Sevahn Kayaneh Vorperian
[gmx-users] building GROMACS 2018.2 Benson Muite
[gmx-users] How to get the complete molecule? Victor Rosas Garcia
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Energy decomposition Vito GENNA
[gmx-users] Queries regarding temperature gradient Justin Lemkul
[gmx-users] Performing energy minimisation for an alanine scan Justin Lemkul
[gmx-users] Energy decomposition Justin Lemkul
[gmx-users] building GROMACS 2018.2 Mark Abraham
[gmx-users] Performing energy minimisation for an alanine scan Mark Abraham
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Energy decomposition Vito GENNA
[gmx-users] Queries regarding temperature gradient Mark Abraham
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Queries regarding temperature gradient Justin Lemkul
[gmx-users] Queries regarding temperature gradient Sabreen Farnaz
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Performing energy minimisation for an alanine scan Mark Abraham
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Performing energy minimisation for an alanine scan Justin Lemkul
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] MPI Raag Saluja
[gmx-users] warming up a protein system morpheus
[gmx-users] cpu threads in a gpu run Mahmood Naderan
[gmx-users] Performing energy minimisation for an alanine scan Abhishek Acharya
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Performing energy minimisation for an alanine scan Abhishek Acharya
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Ph.D. candidate position in biomolecular modeling or bioinformatics Jan Brezovsky
[gmx-users] Performing energy minimisation for an alanine scan Abhishek Acharya
[gmx-users] Performing energy minimisation for an alanine scan Anthony Nash
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] MPI Justin Lemkul
[gmx-users] warming up a protein system Justin Lemkul
[gmx-users] gmx trjconv -pbc doesn't work Chenlin Lu
[gmx-users] gmx trjconv -pbc doesn't work Justin Lemkul
[gmx-users] y-axis [unit] for gmx analyze -dist command atb files
[gmx-users] y-axis [unit] for gmx analyze -dist command Justin Lemkul
[gmx-users] Regarding analysis of dipole-dipole or quadrupole-quadrupole interactions Mijiddorj B
[gmx-users] cpu threads in a gpu run Mahmood Naderan
[gmx-users] ZnO Parameters zaved at tezu.ernet.in
[gmx-users] y-axis [unit] for gmx analyze -dist command atb files
[gmx-users] ligpargen farial tavakoli
[gmx-users] 2D density maps Yasser Almeida Hernández
[gmx-users] ZnO Parameters ali akgün
[gmx-users] (no subject) Soham Sarkar
[gmx-users] GROMACS- suggestion for GPU buying malkeet singh Bahia
[gmx-users] (no subject) Soham Sarkar
[gmx-users] Energy minimization of solvated MOFs. Nagasree Garapati
[gmx-users] Making group of different atoms Chetan Puri
[gmx-users] pme grid with gpu Mahmood Naderan
[gmx-users] Any configuration for enabling thread-MPI? Mahmood Naderan
[gmx-users] Help Maximiliano Sebastián Castillo
[gmx-users] Energy minimization of solvated MOFs. Dallas Warren
[gmx-users] (no subject) Dallas Warren
[gmx-users] Making group of different atoms Dallas Warren
[gmx-users] mpirun and gmx_mpi Mahmood Naderan
[gmx-users] Flat bottom position restraints Joe Wu
[gmx-users] topolgen farial tavakoli
[gmx-users] topolgen Srinivasa Ramisetti
[gmx-users] Flat bottom position restraints Mark Abraham
[gmx-users] Help Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] Flat bottom position restraints Joe Wu
[gmx-users] Help Maximiliano Sebastián Castillo
[gmx-users] Help Vytautas Rakeviius
[gmx-users] Making group of different atoms Sohaib. Mohammed
[gmx-users] Flat bottom position restraints Kevin Boyd
[gmx-users] Autocorrelation function comes to be zero SHYANTANI MAITI
[gmx-users] Making group of different atoms Quyen V. Vu
[gmx-users] Autocorrelation function comes to be zero David van der Spoel
[gmx-users] Convergence of systems. SHYANTANI MAITI
[gmx-users] Convergence of systems. Quyen V. Vu
[gmx-users] Convergence of systems. Dallas Warren
[gmx-users] Membrane simulation analysis - membrane thickness and area per lipid Yasser Almeida Hernández
[gmx-users] Dihedral between non bonded atoms Momin Ahmad
[gmx-users] Time correlation function computation ABANTIKA PAL
[gmx-users] Dihedral between non bonded atoms Mark Abraham
[gmx-users] Commented atoms in [pair] list Anjana Jayasinghe
[gmx-users] REPOST Coarse graining carbon nanotubes and MARTINI Raman Preet Singh
[gmx-users] REPOST Coarse graining carbon nanotubes and MARTINI Peter Kroon
[gmx-users] GROMACS- suggestion for GPU buying Szilárd Páll
[gmx-users] mpirun and gmx_mpi Szilárd Páll
[gmx-users] mpirun and gmx_mpi Szilárd Páll
[gmx-users] cpu threads in a gpu run Szilárd Páll
[gmx-users] cpu threads in a gpu run Szilárd Páll
[gmx-users] cpu threads in a gpu run Szilárd Páll
[gmx-users] pme grid with gpu Szilárd Páll
[gmx-users] rerun from random seeds Szilárd Páll
[gmx-users] Fatal error: Invalid T coupling input: 0 groups, 1 ref-t values and 1 tau-t values Gonzalez Fernandez, Cristina
[gmx-users] Making group of different atoms Chetan Puri
[gmx-users] Making group of different atoms Shrinath Kumar
[gmx-users] Fatal error: Invalid T coupling input: 0 groups, 1 ref-t values and 1 tau-t values Mark Abraham
[gmx-users] Making group of different atoms Mateusz Bieniek
[gmx-users] GROMACS- suggestion for GPU buying Mateusz Bieniek
[gmx-users] use of surface tension paul buscemi
[gmx-users] resize pre-equilibrated system Roman Sloutsky
[gmx-users] resize pre-equilibrated system paul buscemi
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] resize pre-equilibrated system Justin Lemkul
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Patch for the Acetylated caps Shreyas Kaptan
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] gromacs 2018 compilation problem with stdlib Manoel Barrionuevo
[gmx-users] (no subject) Dr. Seema Mishra
[gmx-users] gromacs 2018 compilation problem with stdlib David van der Spoel
[gmx-users] energy minimization farial tavakoli
[gmx-users] trjcat -settime Atila Petrosian
[gmx-users] Patch for the Acetylated caps Mark Abraham
[gmx-users] trjcat -settime Justin Lemkul
[gmx-users] energy minimization Justin Lemkul
[gmx-users] gromacs 2018 compilation problem with stdlib Manoel Barrionuevo
[gmx-users] trjcat -settime Atila Petrosian
[gmx-users] trjcat -settime Justin Lemkul
[gmx-users] trjcat -settime Atila Petrosian
[gmx-users] trjcat -settime Justin Lemkul
[gmx-users] trjcat -settime Atila Petrosian
[gmx-users] trjcat -settime Justin Lemkul
[gmx-users] gmx spatial producing negative isodensities. Stefan Hansen
[gmx-users] energy minimization farial tavakoli
[gmx-users] Convergence of system SHYANTANI MAITI
[gmx-users] energy minimization Justin Lemkul
[gmx-users] Convergence of system SHYANTANI MAITI
[gmx-users] Convergence of system SHYANTANI MAITI
[gmx-users] Convergence of system Warren Gallin
[gmx-users] Negative pressure in NVT simulation Neda Rafiee
[gmx-users] Negative pressure in NVT simulation Justin Lemkul
[gmx-users] [Spam-FG] Re: [Spam-FG] Re: Negative pressure in NVT simulation Neda Rafiee
[gmx-users] MDRun Compile issue Weiner, Michael
[gmx-users] MDRun Compile issue Weiner, Michael
[gmx-users] MDRun Compile issue Weiner, Michael
[gmx-users] Shell (Drude) model for polarization in GROMACS Eric Smoll
[gmx-users] Shell (Drude) model for polarization in GROMACS Justin Lemkul
[gmx-users] (no subject) James Krieger
[gmx-users] [Spam-FG] [Spam-FG]__Re:_[Spam-FG]_Re:__Negative_pressure_in_NVT_simulation Neda Rafiee
[gmx-users] [Spam-FG] [Spam-FG]__Re:_[Spam-FG]_Re:__Negative_pressure_in_NVT_simulation Mark Abraham
[gmx-users] [Spam-FG] [Spam-FG]__Re:_[Spam-FG]_Re:__Negative_pressure_in_NVT_simulation Neda Rafiee
[gmx-users] MDRun Compile issue Mark Abraham
[gmx-users] MDRun Compile issue Mark Abraham
[gmx-users] energy minimization farial tavakoli
[gmx-users] gromacs 2018 compilation problem with stdlib Mark Abraham
[gmx-users] Help Mark Abraham
[gmx-users] Making group of different atoms Chetan Puri
[gmx-users] [Spam-FG] [Spam-FG]__Re:_[Spam-FG]_Re:__Negative_pressure_in_NVT_simulation Neda Rafiee
[gmx-users] energy minimization Justin Lemkul
[gmx-users] gromacs 2018 compilation problem with stdlib Manoel Barrionuevo
[gmx-users] gromacs 2018 compilation problem with stdlib Mark Abraham
[gmx-users] [Spam-FG] [Spam-FG]__Re:_[Spam-FG]_Re:__Negative_pressure_in_NVT_simulation Mark Abraham
[gmx-users] Problems during installation Rajat Desikan
[gmx-users] Problems during installation Mark Abraham
[gmx-users] Negative pressure in NVT simulation Diana Lousa
[gmx-users] Problems during installation Rajat Desikan
[gmx-users] Problems during installation Justin Lemkul
[gmx-users] x2top_error Atila Petrosian
[gmx-users] x2top_error Alex
[gmx-users] Incorrect number of parameters in improper dihedral Debadutta Prusty
[gmx-users] Pressure Calculation in Gromacs Brandon Wiebe
[gmx-users] Pressure Calculation in Gromacs Justin Lemkul
[gmx-users] Pressure Calculation in Gromacs Brandon Wiebe
[gmx-users] Viscosity Calculation in Gromacs V5.1.5 Sabreen Farnaz
[gmx-users] Pressure Calculation in Gromacs Mark Abraham
[gmx-users] Tilt in the Bilayer atb files
[gmx-users] Grompp errors while changing combination rules Apramita Chand
[gmx-users] what is the force on the energy group when pull code is used? 1185201182
[gmx-users] Problems during installation Rajat Desikan
[gmx-users] Tilt in the Bilayer Justin Lemkul
[gmx-users] Grompp errors while changing combination rules Justin Lemkul
[gmx-users] what is the force on the energy group when pull code is used? Justin Lemkul
[gmx-users] Format of xvg file SHYANTANI MAITI
[gmx-users] what is the force on the energy group when pullcode is used? 1185201182
[gmx-users] Format of xvg file Mark Abraham
[gmx-users] Format of xvg file Mark Abraham
[gmx-users] what is the force on the energy group when pullcode is used? 1185201182
[gmx-users] problem in energy minimization neelam wafa
[gmx-users] Lennard-Jones mixture with non-standard mixing rules and different interaction cut-offs -- simple way to implement? Yehuda E. Altabet
[gmx-users] Reaching equilibrium SHYANTANI MAITI
[gmx-users] resize pre-equilibrated system Roman Sloutsky
[gmx-users] Incorrect number of parameters in improper dihedral Abhishek Acharya
[gmx-users] Fwd: problem in energy minimization neelam wafa
[gmx-users] Reaching equilibrium Dallas Warren
[gmx-users] problem in energy minimization Dallas Warren
[gmx-users] pdb2gmx: how to preserve original ions? Anderson, Amos
[gmx-users] pdb2gmx: how to preserve original ions? Justin Lemkul
[gmx-users] Re Grompp errors while changing combination rules Apramita Chand
[gmx-users] pdb2gmx: how to preserve original ions? Mark Abraham
[gmx-users] POPG/POPE membrane marzieh dehghan
[gmx-users] POPG/POPE membrane P C Kroon
[gmx-users] POPG/POPE membrane P C Kroon
[gmx-users] Fwd: problem in energy minimization Mark Abraham
[gmx-users] Lennard-Jones mixture with non-standard mixing rules and different interaction cut-offs -- simple way to implement? Mark Abraham
[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS Геннадий Макаров
[gmx-users] Re Grompp errors while changing combination rules Justin Lemkul
[gmx-users] No subject Hanin Omar
[gmx-users] Fatal error: Invalid T coupling input: 0 groups, 1 ref-t values and 1 tau-t values Gonzalez Fernandez, Cristina
[gmx-users] Determine electrostatic and van der waals energies Gonzalez Fernandez, Cristina
[gmx-users] energy minimization_note Atila Petrosian
[gmx-users] energy minimization_note Mark Abraham
[gmx-users] Fwd: problem in energy minimization neelam wafa
[gmx-users] Segmentation fault and PCA Analysis Ahmed Mashaly
[gmx-users] energy minimization_note Atila Petrosian
[gmx-users] CNT md simulation & unusual minimized structure Atila Petrosian
[gmx-users] Ionic bonds Momin Ahmad
[gmx-users] energy minimization_note Justin Lemkul
[gmx-users] CNT md simulation & unusual minimized structure Justin Lemkul
[gmx-users] Problems during installation Szilárd Páll
[gmx-users] surface tension in free energy calculation Ali Shomali
[gmx-users] Compressing bundles of fibers into a surface paul buscemi
[gmx-users] Calculate pore radius using water molecules Mijiddorj B
[gmx-users] Trouble running simulations with Nitrogen Joshua Cummings
[gmx-users] Trouble running simulations with Nitrogen Ali Ahmed
[gmx-users] Setting correct non-bonded and pair (LJ) parameters in ffnonbonded.itp Apramita Chand
[gmx-users] Problems during installation Rajat Desikan
[gmx-users] REMD Showing Zero Exchange Probability Ligesh Lichu
[gmx-users] CNT md simulation & unusual minimized structure Atila Petrosian
[gmx-users] CNT md simulation & unusual Equilibrated structure (NVT) Atila Petrosian
[gmx-users] REMD Showing Zero Exchange Probability Smith, Micholas D.
[gmx-users] Trouble running simulations with Nitrogen Justin Lemkul
[gmx-users] Setting correct non-bonded and pair (LJ) parameters in ffnonbonded.itp Justin Lemkul
[gmx-users] REMD Showing Zero Exchange Probability Ligesh Lichu
[gmx-users] REMD Showing Zero Exchange Probability Abhishek Acharya
[gmx-users] (no subject) Soham Sarkar
[gmx-users] (no subject) Soham Sarkar
[gmx-users] REMD Showing Zero Exchange Probability Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Soham Sarkar
[gmx-users] Varying exchange probabilities between replicas in REMD Shubhangi Gupta
[gmx-users] Time series of the number of atoms with the volume Mijiddorj B
[gmx-users] topol file inaccessible Raag Saluja
[gmx-users] (no subject) Mark Abraham
[gmx-users] Varying exchange probabilities between replicas in REMD Mark Abraham
[gmx-users] (no subject) Soham Sarkar
[gmx-users] (no subject) Mark Abraham
[gmx-users] topol file inaccessible Ali Ahmed
[gmx-users] (no subject) Soham Sarkar
[gmx-users] Time series of the number of atoms with the volume Mark Abraham
[gmx-users] (no subject) pbuscemi at q.com
[gmx-users] topol file inaccessible Quyen V. Vu
[gmx-users] Tilt in the Bilayer atb files
[gmx-users] tutorial problem 工业131 焦凤轩
[gmx-users] (no subject) Soham Sarkar
[gmx-users] tutorial problem Mark Abraham
[gmx-users] tutorial problem Mark Abraham
[gmx-users] Time series of the number of atoms with the volume Mijiddorj B
[gmx-users] gromacs 2018 for GPU install on cluster with truly static libraries? Shayna Hilburg
[gmx-users] Time series of the number of atoms with the volume Mark Abraham
[gmx-users] Time series of the number of atoms with the volume Mark Abraham
[gmx-users] unusual trajectory Atila Petrosian
[gmx-users] unusual trajectory Alex
[gmx-users] gromacs 2018 for GPU install on cluster with truly static libraries? Mark Abraham
[gmx-users] gromacs 2018 for GPU install on cluster with truly static libraries? Shayna Hilburg
[gmx-users] unusual trajectory Atila Petrosian
[gmx-users] unusual trajectory Alex
[gmx-users] unusual trajectory Atila Petrosian
[gmx-users] gromacs 2018 for GPU install on cluster with truly static libraries? Mark Abraham
[gmx-users] make index farial tavakoli
[gmx-users] make index Justin Lemkul
[gmx-users] Parameters for manganese Mn2+ Hermann, Johannes
[gmx-users] Dihedral angles in crystaline structure Momin Ahmad
[gmx-users] question Andrew Bostick
[gmx-users] Nonbond params and pairtypes section in ffnonbonded.itp Apramita Chand
[gmx-users] gmx distance Andrew Bostick
[gmx-users] gmx distance Mateusz Bieniek
[gmx-users] pdb2gmx: how to preserve original ions? Anderson, Amos
[gmx-users] question Alex
[gmx-users] gmx distance Shrinath Kumar
[gmx-users] unusual trajectory Dallas Warren
[gmx-users] question Mark Abraham
[gmx-users] Parameters for manganese Mn2+ Hermann, Johannes
[gmx-users] Energy decomposition Vito GENNA
[gmx-users] question Andrew Bostick
[gmx-users] energy minimization farial tavakoli
[gmx-users] unusual trajectory Atila Petrosian
[gmx-users] mpirun and gmx_mpi Mahmood Naderan
[gmx-users] mpirun and gmx_mpi Szilárd Páll
[gmx-users] unusual trajectory Alex
[gmx-users] question Alex
[gmx-users] gmx density -d Z in a system with pbc = xy Alex
[gmx-users] Replicating the Results from gmx covar Eric R Beyerle
[gmx-users] gromacs.org_gmx-users Digest, Vol 171, Issue 84 Raag Saluja
[gmx-users] REMD Showing Zero Exchange Probability Ligesh Lichu
[gmx-users] gmx density -d Z in a system with pbc = xy Mark Abraham
[gmx-users] pull COM code pullx.xvg vs gmx distance Joe Wu
[gmx-users] gmx density -d Z in a system with pbc = xy Alex
[gmx-users] gmx density -d Z in a system with pbc = xy Mark Abraham
[gmx-users] Protein surface interaction analysis - hydrophobic sasa Milan Sobota
[gmx-users] topol inaccessible in the production md step Raag Saluja
[gmx-users] Energy decomposition Vito GENNA
[gmx-users] mpirun and gmx_mpi Mahmood Naderan
[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS Геннадий Макаров
[gmx-users] topol inaccessible in the production md step Justin Lemkul
[gmx-users] energy minimization Justin Lemkul
[gmx-users] energy minimization Smith, Micholas D.
[gmx-users] mpirun and gmx_mpi Szilárd Páll
[gmx-users] Metal organic framework energy minimization Jordan Chapman
[gmx-users] OpenMP multithreading mdrun Smith, Iris
[gmx-users] OpenMP multithreading mdrun Szilárd Páll
[gmx-users] specbond Momin Ahmad
[gmx-users] specbond Mark Abraham
[gmx-users] Metal organic framework energy minimization Mark Abraham
[gmx-users] Energy decomposition Mark Abraham
[gmx-users] Protein surface interaction analysis - hydrophobic sasa Mark Abraham
[gmx-users] Metal organic framework energy minimization Jordan Chapman
[gmx-users] grouping custom ions Alex
[gmx-users] grouping custom ions Justin Lemkul
[gmx-users] grouping custom ions Alex
[gmx-users] Metal organic framework energy minimization Lakshman Ji Verma
[gmx-users] Metal organic framework energy minimization Lakshman Ji Verma
[gmx-users] grouping custom ions Alex
[gmx-users] grouping custom ions Justin Lemkul
[gmx-users] grouping custom ions Alex
[gmx-users] REMD Simulation for a system at different Concentration Ligesh Lichu
[gmx-users] .gro file shows the wrong mass hosein geraili
[gmx-users] Fw: .gro file shows the wrong mass hosein geraili
[gmx-users] how to rename my hydrogens before pdb2gmx Anderson, Amos
[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS Геннадий Макаров
[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS Gennady Makarov
[gmx-users] NVIDIA CUDA Alanine Scanning Matthew Kenney
[gmx-users] Time accounting and performance Alex
[gmx-users] Time accounting and performance Mark Abraham
[gmx-users] nonbond_params directive Eric Smoll
[gmx-users] question about the comm-mode madisonw at zju.edu.cn
[gmx-users] mpirun and gmx_mpi Mahmood Naderan
[gmx-users] GMXRC removes trailing colon from existing MANPATH Peter Kroon
[gmx-users] gromacs with mps Mahmood Naderan
[gmx-users] possible bug in annealing paul buscemi
[gmx-users] Fwd: "Solved the issue on annealing - so to speak " paul buscemi
[gmx-users] [EXT] Re: OpenMP multithreading mdrun Smith, Iris
[gmx-users] Slab gets bended in NVT Alex
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] interpretation of force in pulling simulation kordzadeh at aut.ac.ir
[gmx-users] interpretation of force in pulling simulation Alex
[gmx-users] interpretation of force in pulling simulation Justin Lemkul
[gmx-users] nonbond_params directive Justin Lemkul
[gmx-users] Slab gets bended in NVT paul buscemi
[gmx-users] interpretation of force in pulling simulation Alex
[gmx-users] nonbond_params directive Eric Smoll
[gmx-users] nonbond_params directive Justin Lemkul
[gmx-users] nonbond_params directive Eric Smoll
[gmx-users] nonbond_params directive Justin Lemkul
[gmx-users] nonbond_params directive Eric Smoll
[gmx-users] how to solve a fatal error Mohammad Goodarzi
[gmx-users] how to solve a fatal error Mark Abraham
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Protein_ligand simulation Justin Lemkul
[gmx-users] ndx file with frames Stefano Guglielmo
[gmx-users] gromacs.org_gmx-users Digest, Vol 171, Issue 108 Mohammad Goodarzi
[gmx-users] Unknown function type 17 Åge Aleksander Skjevik
[gmx-users] By what tool is the atomptypes.atp file used? Elton Carvalho
[gmx-users] Restart Eric Smoll
[gmx-users] Energy decomposition Vito GENNA
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Mohammad Goodarzi shared "Prepared" with you Mohammad Goodarzi (via Dropbox)
[gmx-users] Fatal error Mohammad Goodarzi
[gmx-users] segmentation fault (core?==?utf-8?q? dumped) error with gmx confrms Jahn Nitschke
[gmx-users] zig-zag stacking Nagasree Garapati
[gmx-users] Energy decomposition Mark Abraham
[gmx-users] Energy decomposition Mark Abraham
[gmx-users] Protein_ligand simulation Mark Abraham
[gmx-users] Restart Mark Abraham
[gmx-users] Unknown function type 17 Mark Abraham
[gmx-users] Unknown function type 17 Mark Abraham
[gmx-users] segmentation fault (core?==?utf-8?q? dumped) error with gmx confrms Mark Abraham
[gmx-users] Fatal error Mark Abraham
[gmx-users] Fatal error Mark Abraham
[gmx-users] Restart Eric Smoll
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Protein_ligand simulation Justin Lemkul
[gmx-users] Restart Shrinath Kumar
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Protein_ligand simulation Justin Lemkul
[gmx-users] gromacs.org_gmx-users Digest, Vol 171, Issue 114 Mohammad Goodarzi
[gmx-users] gromacs.org_gmx-users Digest, Vol 171, Issue 114 Justin Lemkul
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Restart Mark Abraham
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] Protein_ligand simulation Justin Lemkul
[gmx-users] Protein_ligand simulation RAHUL SURESH
[gmx-users] non-global thermostatting Alex
[gmx-users] non-global thermostatting Justin Lemkul
[gmx-users] non-global thermostatting Alex
[gmx-users] non-global thermostatting Justin Lemkul
[gmx-users] potential energy Mahboobeh Eslami

Last message date: Tue Jul 31 22:34:23 CEST 2018
Archived on: Tue Jul 31 22:34:24 CEST 2018

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