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• • Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors Michael Shirts
  • [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors Dejun Lin
  • Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors Michael Shirts
  • Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors Dejun Lin
  • Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors Michael Shirts
• [gmx-users] Exclude ions from spherical region Joshua Adelman
• [gmx-users] Problem with energy minimization parameters Sainitin Donakonda
  • Re: [gmx-users] Problem with energy minimization parameters Justin Lemkul
  • [gmx-users] Re: Problem with energy minimization parameters Sainitin Donakonda
• [gmx-users] application of MM-GBSA Arunima Shilpi
• [gmx-users] make an index file of COM of lipid bilayer Shima Arasteh
  • Re: [gmx-users] make an index file of COM of lipid bilayer Justin Lemkul
  • Fw: [gmx-users] make an index file of COM of lipid bilayer Shima Arasteh
  • Re: Fw: [gmx-users] make an index file of COM of lipid bilayer Justin Lemkul
• [gmx-users] aminoacids protonation in different ph fatemeh ramezani
• [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
  • Re: [gmx-users] entropy calculation Justin Lemkul
  • Re: [gmx-users] entropy calculation pooja_gupta
• [gmx-users] Chlorate ion force field Sushma Yadav
  • Re: [gmx-users] Chlorate ion force field Dr. Vitaly Chaban
  • Re: [gmx-users] Chlorate ion force field Srinivasa Rao Varanasi
• [gmx-users] Reverse_MICELLE>Fatel error, moleculetype SOL is redefined Hari Pandey
  • Re: [gmx-users] Reverse_MICELLE>Fatel error, moleculetype SOL is redefined Justin Lemkul
• [gmx-users] Re: enery conserving problem in NVE simulations with SMW4-NPD polarizable force field S. Alireza Bagherzadeh
• [gmx-users] How to make changes on Trajectory file? Rama
  • Re: [gmx-users] How to make changes on Trajectory file? Justin Lemkul
  • Re: [gmx-users] How to make changes on Trajectory file? Rama Krishna Koppisetti
• [gmx-users] Re: snapshot Thomas Schlesier
  • Re: [gmx-users] Re: snapshot Rama Krishna Koppisetti
• [gmx-users] Using the checkpoint file to restore corrupt trajectory. Rajat Desikan
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. Justin Lemkul
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. rajat desikan
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. rajat desikan
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. Justin Lemkul
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. rajat desikan
  • Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory. Justin Lemkul
• [gmx-users] AMINOACIDS fatemeh ramezani
  • Re: [gmx-users] AMINOACIDS Justin Lemkul
  • Fw: [gmx-users] AMINOACIDS fatemeh ramezani
  • Re: Fw: [gmx-users] AMINOACIDS Justin Lemkul
  • Re: Fw: [gmx-users] AMINOACIDS Justin Lemkul
• [gmx-users] enery conserving problem in NVE simulations with SMW4-NPD polarizable force field Ding Yun
• [gmx-users] How to calculate enthalpy pooja_gupta
  • Re: [gmx-users] How to calculate enthalpy Dr. Vitaly Chaban
  • Re: [gmx-users] How to calculate enthalpy Albert
  • Re: [gmx-users] How to calculate enthalpy pooja_gupta
  • Re: [gmx-users] How to calculate enthalpy Dr. Vitaly Chaban
  • Aw: Re: [gmx-users] How to calculate enthalpy lloyd riggs
  • Aw: Re: [gmx-users] How to calculate enthalpy lloyd riggs
• [gmx-users] snapshot Rama
  • Re: [gmx-users] snapshot Justin Lemkul
  • Re: [gmx-users] snapshot Dr. Vitaly Chaban
  • Re: [gmx-users] snapshot Rama Krishna Koppisetti
  • Re: [gmx-users] snapshot Justin Lemkul
  • Re: [gmx-users] snapshot Rama Krishna Koppisetti
• [gmx-users] Cyclic Peptide Topology jriedel
  • Re: [gmx-users] Cyclic Peptide Topology Justin Lemkul
• [gmx-users] acidic pH fatemeh ramezani
  • Re: [gmx-users] acidic pH Justin Lemkul
• [gmx-users] Restraints influeincing free energy calculations Nash, Anthony
• [gmx-users] a question on energygrps Albert
  • Re: [gmx-users] a question on energygrps Justin Lemkul
• [gmx-users] rdf Ishwor
  • Re: [gmx-users] rdf Justin Lemkul
• [gmx-users] How do I make an AOT reverse micelle, which package I should use ABEL Stephane 175950
• [gmx-users] How do I make an AOT reverse micell, which package I should use Hari Pandey
• [gmx-users] About Solvation dynamics Hari Pandey
• [gmx-users] editconf: Invalid command line argument: –f Jonathan Saboury
  • Re: [gmx-users] editconf: Invalid command line argument: –f Tsjerk Wassenaar
  • [gmx-users] Re: editconf: Invalid command line argument: –f Jonathan Saboury
• [gmx-users] Maxwell-Stefan diffusion coefficient Rasoul Nasiri
• [gmx-users] qm-mm calculation Nilesh Dhumal
  • [gmx-users] qm-mm calculation Nilesh Dhumal
  • [gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin bhf70
  • Re: [gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin Justin Lemkul
  • Re: [gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin bhf70
  • Re: [gmx-users] qm-mm calculation Justin Lemkul
• [gmx-users] request for a/v material for promotional video Mark Abraham
• [gmx-users] DCD can not open file 'md_0_1.xtc' for reading maggin
  • [gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading maggin
  • [gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading maggin
  • Re: [gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading Justin Lemkul
• [gmx-users] gpu cluster explanation Francesco
  • Re: [gmx-users] gpu cluster explanation Richard Broadbent
  • Re: [gmx-users] gpu cluster explanation Francesco
• [gmx-users] convert gromacs formats and xyz maggin
  • Re: [gmx-users] convert gromacs formats and xyz Mark Abraham
• [gmx-users] Gromacs installation problem Douglas Houston
  • Re: [gmx-users] Gromacs installation problem Mark Abraham
  • Re: [gmx-users] Gromacs installation problem Douglas Houston
• [gmx-users] Re: Umbrella Sampling settings Thomas Schlesier
  • [gmx-users] Re: Umbrella Sampling settings Thomas Schlesier
  • Re: [gmx-users] Re: Umbrella Sampling settings Shima Arasteh
  • Re: [gmx-users] Re: Umbrella Sampling settings Justin Lemkul
• [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Mark Abraham
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Mark Abraham
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Mark Abraham
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Mark Abraham
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Szilárd Páll
  • [gmx-users] Problems with REMD in Gromacs 4.6.3 gigo
• [gmx-users] Accounting for the solvent with -rerun? Leandro Bortot
• [gmx-users] Umbrella Sampling settings Shima Arasteh
  • Re: [gmx-users] Umbrella Sampling settings Justin Lemkul
  • Re: [gmx-users] Umbrella Sampling settings Shima Arasteh
  • Re: [gmx-users] Umbrella Sampling settings Justin Lemkul
  • Re: [gmx-users] Umbrella Sampling settings Shima Arasteh
  • Re: [gmx-users] Umbrella Sampling settings Shima Arasteh
  • Re: [gmx-users] Umbrella Sampling settings Justin Lemkul
  • Re: [gmx-users] Umbrella Sampling settings Shima Arasteh
• [gmx-users] AVX2 SIMD intrinsics speed boost Bin Liu
  • Re: [gmx-users] AVX2 SIMD intrinsics speed boost Erik Lindahl
• [gmx-users] Re: gmx-users Digest, Vol 111, Issue 53 Bin Liu
• [gmx-users] Cyclohexane as a solvent Shima Arasteh
  • Re: [gmx-users] Cyclohexane as a solvent Justin Lemkul
  • Re: [gmx-users] Cyclohexane as a solvent Dr. Vitaly Chaban
• [gmx-users] Mass in GMX topology Steven Neumann
  • Re: [gmx-users] Mass in GMX topology Justin Lemkul
  • Re: [gmx-users] Mass in GMX topology Steven Neumann
  • Re: [gmx-users] Mass in GMX topology Justin Lemkul
  • Re: [gmx-users] Mass in GMX topology Steven Neumann
  • Re: [gmx-users] Mass in GMX topology Dr. Vitaly Chaban
• [gmx-users] 4.6.3 and MKL Éric Germaneau
  • Re: [gmx-users] 4.6.3 and MKL Mark Abraham
  • Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
  • Re: [gmx-users] 4.6.3 and MKL Mark Abraham
  • Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
  • Re: [gmx-users] 4.6.3 and MKL Mark Abraham
  • Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
  • Re: [gmx-users] 4.6.3 and MKL Szilárd Páll
  • Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
• [gmx-users] Fatal error: No donor atom 780 yunshi11 .
  • [gmx-users] Re: Fatal error: No donor atom 780 yunshi11 .
  • [gmx-users] Re: Fatal error: No donor atom 780 yunshi11 .
• [gmx-users] implicit solvent Cristina Dezi
  • Re: [gmx-users] implicit solvent Mark Abraham
• [gmx-users] extreme projections Ahmet yıldırım
  • [gmx-users] Re: extreme projections Ahmet yıldırım
  • Re: [gmx-users] Re: extreme projections Rashmi
• [gmx-users] Figures of PCA analysis Ahmet yıldırım
  • Aw: [gmx-users] Figures of PCA analysis lloyd riggs
  • Re: [gmx-users] Figures of PCA analysis Ahmet yıldırım
  • RE: [gmx-users] Figures of PCA analysis Dallas Warren
• [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
  • Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Justin Lemkul
  • [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
  • Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Baptiste Demoulin
  • [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
  • Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Justin Lemkul
• [gmx-users] Re: Re: Re: Re: Which/What is the adequate overlap Mike Nemec
  • RE: [gmx-users] Re: Re: Re: Re: Which/What is the adequate overlap Ullmann, Thomas
• [gmx-users] Re: Umbrella sampling- force vs time plots Thomas Schlesier
• [gmx-users] How to apply trjconv -nojump to a part of a system Bin Liu
  • Re: [gmx-users] How to apply trjconv -nojump to a part of a system Justin Lemkul
  • Re: [gmx-users] How to apply trjconv -nojump to a part of a system Trayder Thomas
  • RE: [gmx-users] How to apply trjconv -nojump to a part of a system Emanuel Birru
• [gmx-users] Re: gInstallation Problems with Gromacs4.6 Éric Germaneau
  • Re: [gmx-users] Re: gInstallation Problems with Gromacs4.6 Éric Germaneau
• [gmx-users] Frozen covalent bound atoms Nash, Anthony
  • Re: [gmx-users] Frozen covalent bound atoms Tsjerk Wassenaar
• [gmx-users] Umbrella sampling- force vs time plots rookie417
  • Re: [gmx-users] Umbrella sampling- force vs time plots Justin Lemkul
  • Aw: [gmx-users] Umbrella sampling- force vs time plots lloyd riggs
  • Re: Aw: [gmx-users] Umbrella sampling- force vs time plots rookie417
  • Re: Aw: [gmx-users] Umbrella sampling- force vs time plots Justin Lemkul
• [gmx-users] why DGbind=0 ? Albert
• [gmx-users] Problem with running REMD in Gromacs 4.6.3 gigo
  • Re: [gmx-users] Problem with running REMD in Gromacs 4.6.3 Szilárd Páll
• [gmx-users] Issue with g_lie Sainitin Donakonda
• [gmx-users] Multiple LINCS Warnings in NVT Equillibration ashish24294
  • Re: [gmx-users] Multiple LINCS Warnings in NVT Equillibration Matthew Zwier
  • [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration ashish24294
  • Re: [gmx-users] Multiple LINCS Warnings in NVT Equillibration Justin Lemkul
  • [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration ashish24294
  • Re: [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration Justin Lemkul
• [gmx-users] Squishing or Stretching Membranes Neha
  • Re: [gmx-users] Squishing or Stretching Membranes Mirco Wahab
  • Re: [gmx-users] Squishing or Stretching Membranes Tsjerk Wassenaar
• [gmx-users] Re: Re: Which/What is the adequate overlap using g_BAR Mike Nemec
  • RE: [gmx-users] Re: Re: Which/What is the adequate overlap using g_BAR Ullmann, Thomas
• [gmx-users] the principle of pulling ????
  • [gmx-users] the principle of pulling wanghua
  • Re: [gmx-users] the principle of pulling Justin Lemkul
• [gmx-users] g_cluster maggin
  • Re: [gmx-users] g_cluster Justin Lemkul

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