gmx-users

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2013/07/11 Re: [gmx-users] Cyclohexane as a solvent Dr. Vitaly Chaban
2013/07/11 Re: [gmx-users] Re: Atomtype OWT3 not found during EM step Justin Lemkul
2013/07/11 Re: [gmx-users] Cyclohexane as a solvent Justin Lemkul
2013/07/11 [gmx-users] AVX2 SIMD intrinsics speed boost Bin Liu
2013/07/11 [gmx-users] Re: Atomtype OWT3 not found during EM step juganta
2013/07/11 [gmx-users] Re: gmx-users Digest, Vol 111, Issue 53 Bin Liu
2013/07/11 Re: [gmx-users] Xe atom Divya Sunil
2013/07/11 [gmx-users] Cyclohexane as a solvent Shima Arasteh
2013/07/11 Re: [gmx-users] Mass in GMX topology Steven Neumann
2013/07/11 Re: [gmx-users] Mass in GMX topology Justin Lemkul
2013/07/11 Re: [gmx-users] Xe atom Dr. Vitaly Chaban
2013/07/11 Re: [gmx-users] Mass in GMX topology Steven Neumann
2013/07/11 Re: [gmx-users] Mass in GMX topology Justin Lemkul
2013/07/11 [gmx-users] Mass in GMX topology Steven Neumann
2013/07/11 Re: [gmx-users] 4.6.3 and MKL Szilárd Páll
2013/07/10 RE: [gmx-users] How to apply trjconv -nojump to a part of a system Emanuel Birru
2013/07/10 Re: [gmx-users] How to apply trjconv -nojump to a part of a system Trayder Thomas
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Mark Abraham
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Mark Abraham
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Éric Germaneau
2013/07/10 Re: [gmx-users] 4.6.3 and MKL Mark Abraham
2013/07/10 Re: [gmx-users] implicit solvent Mark Abraham
2013/07/10 [gmx-users] 4.6.3 and MKL Éric Germaneau
2013/07/10 Re: [gmx-users] Re: gInstallation Problems with Gromacs4.6 Éric Germaneau
2013/07/10 [gmx-users] Re: Fatal error: No donor atom 780 yunshi11 .
2013/07/10 [gmx-users] Re: Fatal error: No donor atom 780 yunshi11 .
2013/07/10 [gmx-users] Fatal error: No donor atom 780 yunshi11 .
2013/07/10 Aw: [gmx-users] Figures of PCA analysis lloyd riggs
2013/07/10 [gmx-users] implicit solvent Cristina Dezi
2013/07/10 Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Justin Lemkul
2013/07/10 [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
2013/07/10 Re: [gmx-users] Testing the performance of Richa Singh
2013/07/10 Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Baptiste Demoulin
2013/07/10 [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
2013/07/10 [gmx-users] extreme projections Ahmet yıldırım
2013/07/10 [gmx-users] Figures of PCA analysis Ahmet yıldırım
2013/07/10 Re: [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Justin Lemkul
2013/07/10 [gmx-users] trjconv to remove periodicity (KALP15 in DPPC tutorial) Atila Petrosian
2013/07/10 RE: [gmx-users] Re: Re: Re: Re: Which/What is the adequate overlap Ullmann, Thomas
2013/07/10 [gmx-users] Re: Re: Re: Re: Which/What is the adequate overlap Mike Nemec
2013/07/10 Re: [gmx-users] Re: Problem with Amber99SB-ILDN ff Alan
2013/07/10 Re: [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration Justin Lemkul
2013/07/10 Re: Aw: [gmx-users] Umbrella sampling- force vs time plots Justin Lemkul
2013/07/10 Re: [gmx-users] How to apply trjconv -nojump to a part of a system Justin Lemkul
2013/07/10 Re: [gmx-users] Re: Problem with Amber99SB-ILDN ff Justin Lemkul
2013/07/10 [gmx-users] Re: Umbrella sampling- force vs time plots Thomas Schlesier
2013/07/10 Re: [gmx-users] Xe atom Divya Sunil
2013/07/10 Re: [gmx-users] FW: Inconsistent results between 3.3.3 and 4.6 with various set-up options Szilárd Páll
2013/07/10 Re: [gmx-users] Squishing or Stretching Membranes Tsjerk Wassenaar
2013/07/10 Re: [gmx-users] Frozen covalent bound atoms Tsjerk Wassenaar
2013/07/10 Re: [gmx-users] Problem with running REMD in Gromacs 4.6.3 Szilárd Páll
2013/07/10 [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration ashish24294
2013/07/10 [gmx-users] Re: Multiple LINCS Warnings in NVT Equillibration ashish24294
2013/07/09 Re: Aw: [gmx-users] Umbrella sampling- force vs time plots rookie417
2013/07/09 [gmx-users] How to apply trjconv -nojump to a part of a system Bin Liu
2013/07/09 [gmx-users] Re: gInstallation Problems with Gromacs4.6 Éric Germaneau
2013/07/09 [gmx-users] Re: Problem with Amber99SB-ILDN ff Melchor S.
2013/07/09 Aw: [gmx-users] Umbrella sampling- force vs time plots lloyd riggs
2013/07/09 Re: [gmx-users] Umbrella sampling- force vs time plots Justin Lemkul
2013/07/09 Re: [gmx-users] the principle of pulling Justin Lemkul
2013/07/09 Re: [gmx-users] Re: Problem with Amber99SB-ILDN ff Justin Lemkul
2013/07/09 Re: [gmx-users] Multiple LINCS Warnings in NVT Equillibration Justin Lemkul
2013/07/09 [gmx-users] Frozen covalent bound atoms Nash, Anthony
2013/07/09 [gmx-users] Umbrella sampling- force vs time plots rookie417
2013/07/09 [gmx-users] why DGbind=0 ? Albert
2013/07/09 [gmx-users] Problem with running REMD in Gromacs 4.6.3 gigo
2013/07/09 [gmx-users] Re: Problem with Amber99SB-ILDN ff Melchor S.
2013/07/09 [gmx-users] Issue with g_lie Sainitin Donakonda
2013/07/09 Re: [gmx-users] Multiple LINCS Warnings in NVT Equillibration Matthew Zwier
2013/07/09 RE: [gmx-users] Re: Re: Which/What is the adequate overlap using g_BAR Ullmann, Thomas
2013/07/09 Re: [gmx-users] Squishing or Stretching Membranes Mirco Wahab
2013/07/09 [gmx-users] Multiple LINCS Warnings in NVT Equillibration ashish24294
2013/07/09 [gmx-users] Squishing or Stretching Membranes Neha
2013/07/09 [gmx-users] Re: Re: Which/What is the adequate overlap using g_BAR Mike Nemec
2013/07/09 [gmx-users] the principle of pulling wanghua
2013/07/09 [gmx-users] the principle of pulling ????
2013/07/09 [gmx-users] Re: g_cluster maggin
2013/07/09 Re: [gmx-users] Get some specific frames of traj Justin Lemkul
2013/07/09 Re: [gmx-users] Which/What is the adequate overlap using g_BAR Justin Lemkul
2013/07/09 Re: [gmx-users] Get some specific frames of traj Shima Arasteh
2013/07/09 Re: [gmx-users] g_cluster Justin Lemkul
2013/07/09 Re: [gmx-users] cuda problem Szilárd Páll
2013/07/09 [gmx-users] g_cluster maggin
2013/07/09 Re: [gmx-users] Xe atom Dr. Vitaly Chaban
2013/07/09 Re: [gmx-users] cuda problem Albert
2013/07/09 Re: [gmx-users] cuda problem Szilárd Páll
2013/07/09 Re: [gmx-users] cuda problem Szilárd Páll
2013/07/09 [gmx-users] cuda problem Albert
2013/07/09 Re: [gmx-users] Xe atom Divya Sunil
2013/07/09 RE: [gmx-users] Stimulation stopped at 2ns Florian Dommert
2013/07/09 RE: [gmx-users] Calculating shear viscosity using none-equilibrium MD: Viscosity dependent on acceleration magnitude Florian Dommert
2013/07/09 RE: [gmx-users] g_current Florian Dommert
2013/07/08 RE: [gmx-users] g_current Nilesh Dhumal
2013/07/08 [gmx-users] Calculating shear viscosity using none-equilibrium MD: Viscosity dependent on acceleration magnitude Boning Wu
2013/07/08 Re: [gmx-users] Stimulation stopped at 2ns Nuno Azoia
2013/07/08 Re: [gmx-users] Stimulation stopped at 2ns Justin Lemkul
2013/07/08 Re: [gmx-users] Stimulation stopped at 2ns Rama Krishna Koppisetti
2013/07/08 RE: [gmx-users] g_current Florian Dommert
2013/07/08 Re: [gmx-users] Stimulation stopped at 2ns Justin Lemkul
2013/07/08 Re: [gmx-users] Re: Atomtype OWT3 not found during EM step Justin Lemkul
2013/07/08 [gmx-users] g_current Nilesh Dhumal
2013/07/08 [gmx-users] Stimulation stopped at 2ns Rama
2013/07/08 [gmx-users] RE: About Potential energy calculation cyberjhon
2013/07/08 [gmx-users] Which/What is the adequate overlap using g_BAR mike . nemec
2013/07/08 Re: [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Diana Fusco
2013/07/08 Re: [gmx-users] Xe atom Dr. Vitaly Chaban
2013/07/08 [gmx-users] Re: Atomtype OWT3 not found during EM step juganta
2013/07/08 Re: [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Justin Lemkul
2013/07/08 [gmx-users] Re: Atomtype OWT3 not found during EM step juganta
2013/07/08 Re: [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Justin Lemkul
2013/07/08 Re: [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Diana Fusco
2013/07/08 Re: [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Justin Lemkul
2013/07/08 Re: [gmx-users] remd Justin Lemkul
2013/07/08 Re: [gmx-users] Xe atom Justin Lemkul
2013/07/08 Re: [gmx-users] Get some specific frames of traj Justin Lemkul
2013/07/08 [gmx-users] umbrella sampling on GPU with Gromacs 4.6 Diana Fusco
2013/07/08 [gmx-users] remd Shine A
2013/07/08 [gmx-users] Xe atom divyasunil
2013/07/08 Re: [gmx-users] Re: problem in g_membed Albert
2013/07/08 [gmx-users] Re: Problem with Amber99SB-ILDN ff Melchor S.
2013/07/08 Re: [gmx-users] Get some specific frames of traj Shima Arasteh
2013/07/08 Re: [gmx-users] Breaking of disulfisde bridges in human insulin Tsjerk Wassenaar
2013/07/08 [gmx-users] Breaking of disulfisde bridges in human insulin Vinita Kumari
2013/07/08 Re: [gmx-users] Re: Problem with Amber99SB-ILDN ff Justin Lemkul
2013/07/08 [gmx-users] Re: Problem with Amber99SB-ILDN ff Melchor S.
2013/07/08 Re: [gmx-users] Problem with Amber99SB-ILDN ff Justin Lemkul
2013/07/08 [gmx-users] Problem with Amber99SB-ILDN ff Melchor S.
2013/07/08 [gmx-users] Problem creating the gro file with Amber Melchor S.
2013/07/08 Re: [gmx-users] why TIPS3P, why not TIP3P? Javier Cerezo
2013/07/08 Re: [gmx-users] Re: problem in g_membed Justin Lemkul
2013/07/08 Re: [gmx-users] why TIPS3P, why not TIP3P? Albert
2013/07/08 Re: [gmx-users] why TIPS3P, why not TIP3P? Javier Cerezo
2013/07/08 Re: [gmx-users] why TIPS3P, why not TIP3P? Mark Abraham
2013/07/08 [gmx-users] why TIPS3P, why not TIP3P? Albert
2013/07/07 Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX Richa Singh
2013/07/07 [gmx-users] Re: problem in g_membed pavithrakb
2013/07/07 Re: [gmx-users] Get some specific frames of traj Justin Lemkul
2013/07/07 [gmx-users] Get some specific frames of traj Shima Arasteh
2013/07/07 Re: [gmx-users] On the box type Justin Lemkul
2013/07/07 Re: [gmx-users] On the box type akcyrus
2013/07/07 Re: [gmx-users] On the box type Mark Abraham
2013/07/07 Re: [gmx-users] On the box type akcyrus
2013/07/07 [gmx-users] (no subject) Mahboobeh Eslami
2013/07/07 Re: [gmx-users] On the box type Tsjerk Wassenaar
2013/07/07 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/07 Re: [gmx-users] pdb files from trajectory Mohsen Ramezanpour
2013/07/07 Re: [gmx-users] pdb files from trajectory Tsjerk Wassenaar
2013/07/07 [gmx-users] pdb files from trajectory Shima Arasteh
2013/07/07 [gmx-users] On the box type akcyrus
2013/07/07 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/07 Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5 Mark Abraham
2013/07/07 Re: [gmx-users] 11-cis retinal topology problem Mark Abraham
2013/07/07 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/07 [gmx-users] g_lie Mahboobeh Eslami
2013/07/07 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/06 Re: [gmx-users] new forcefield not appear in slave node pdb2gmx list Justin Lemkul
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Justin Lemkul
2013/07/06 Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5 Justin Lemkul
2013/07/06 Re: [gmx-users] new forcefield not appear in slave node pdb2gmx list FLOR MARTINI
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Mark Abraham
2013/07/06 Re: [gmx-users] new forcefield not appear in slave node pdb2gmx list Dr. Vitaly Chaban
2013/07/06 [gmx-users] new forcefield not appear in slave node pdb2gmx list Hari Pandey
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/06 [gmx-users] Problem in g_enemat in Gromacs 4.5.5 rama david
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Mark Abraham
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Albert
2013/07/06 Re: [gmx-users] 11-cis retinal topology problem Mark Abraham
2013/07/05 [gmx-users] 11-cis retinal topology problem Albert
2013/07/05 [gmx-users] about adding forcefield in the list of pdb2gmx Hari Pandey
2013/07/05 Re: [gmx-users] Larger number of decimal places for coordinates with velocities Michael Shirts
2013/07/05 Re: [gmx-users] transfering files from host computer to lyceum Justin Lemkul
2013/07/05 Re: [gmx-users] Larger number of decimal places for coordinates with velocities Mark Abraham
2013/07/05 Re: [gmx-users] FW: Inconsistent results between 3.3.3 and 4.6 with various set-up options Mark Abraham
2013/07/05 Re: [gmx-users] Inconsistent results between 3.3.3 and 4.6 with various set-up options Mark Abraham
2013/07/05 [gmx-users] transfering files from host computer to lyceum chinnu657
2013/07/05 [gmx-users] Re: Re: unwrap trajectory file using -pbc nojump Yutian Yang
2013/07/05 [gmx-users] charmm2gromacs-pvm.py error Albert
2013/07/05 [gmx-users] GROMACS 4.6.3 released Mark Abraham
2013/07/05 [gmx-users] Larger number of decimal places for coordinates with velocities C.M.Sampson
2013/07/05 [gmx-users] Increase in kinetic energy in LINCS with smaller time step Nakamura, Hideya
2013/07/05 [gmx-users] Increase in kinetic energy in LINCS with smaller time step Nakamura, Hideya
2013/07/05 Re: [gmx-users] shell MD Dr. Vitaly Chaban
2013/07/05 Re: [gmx-users] shell MD Sergey
2013/07/05 Re: [gmx-users] shell MD Dr. Vitaly Chaban
2013/07/05 RE: [gmx-users] FW: Inconsistent results between 3.3.3 and 4.6 with various set-up options Cara Kreck
2013/07/05 Re: [gmx-users] shell MD Sergey
2013/07/05 Re: [gmx-users] shell MD Dr. Vitaly Chaban
2013/07/05 Re: [gmx-users] FW: Inconsistent results between 3.3.3 and 4.6 with various set-up options David van der Spoel
2013/07/05 Re: [gmx-users] Re: g_velacc Dr. Vitaly Chaban
2013/07/05 Re: [gmx-users] Re: g_velacc Dr. Vitaly Chaban
2013/07/05 [gmx-users] FW: Inconsistent results between 3.3.3 and 4.6 with various set-up options Cara Kreck
2013/07/05 [gmx-users] Inconsistent results between 3.3.3 and 4.6 with various set-up options Cara Kreck
2013/07/05 Re: [gmx-users] Re: g_velacc David van der Spoel
2013/07/05 [gmx-users] Re: g_velacc Ishwor
2013/07/04 [gmx-users] GPU cannot be detected Albert
2013/07/04 [gmx-users] simulation of liquid water interface in electric field Deepak Ojha
2013/07/04 Re: [gmx-users] how to convert a file Souilem Safa