gmx-users
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2013/07/04
Re: [gmx-users] Issue in Energy minimization protein-ligand complex
Justin Lemkul
2013/07/04
Re: [gmx-users] Issue in Energy minimization protein-ligand complex
Sainitin Donakonda
2013/07/04
Re: [gmx-users] Issue in Energy minimization protein-ligand complex
Justin Lemkul
2013/07/04
[gmx-users] Issue in Energy minimization protein-ligand complex
Sainitin Donakonda
2013/07/04
Re: [gmx-users] a question concerning on entropy
Michael Shirts
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Albert
2013/07/04
[gmx-users] a question concerning on entropy
Albert
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Mark Abraham
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Albert
2013/07/04
Re: [gmx-users] Gromacs GPU system question
Szilárd Páll
2013/07/04
Re: [gmx-users] Installation on Ubuntu 12.04LTS
Szilárd Páll
2013/07/04
Re: [gmx-users] simulating complexes
Justin Lemkul
2013/07/04
[gmx-users] simulating complexes
Ayesha Fatima
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Szilárd Páll
2013/07/04
Re: [gmx-users] Issue with RMSD for protein drug complex
Sainitin Donakonda
2013/07/04
Re: [gmx-users] Issue with RMSD for protein drug complex
Justin Lemkul
2013/07/04
Re: [gmx-users] how to convert a file
Mark Abraham
2013/07/04
Re: [gmx-users] how to convert a file
Souilem Safa
2013/07/04
Re: [gmx-users] how to convert a file
Mark Abraham
2013/07/04
[gmx-users] how to convert a file
natalie gara
2013/07/04
Re: [gmx-users] another error compiling 4.6.2 in GPU cluster
Mark Abraham
2013/07/04
[gmx-users] another error compiling 4.6.2 in GPU cluster
Albert
2013/07/04
Re: [gmx-users] shell MD
Sergey
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Albert
2013/07/04
Re: [gmx-users] Visualize Protein ligand complex
Sainitin Donakonda
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Mark Abraham
2013/07/04
[gmx-users] Issue with RMSD for protein drug complex
Sainitin Donakonda
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Albert
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Mark Abraham
2013/07/04
[gmx-users] shell MD
Sergey
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Mark Abraham
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Oliver Schillinger
2013/07/04
Re: [gmx-users] g_velacc
Mark Abraham
2013/07/04
Re: [gmx-users] Re: Re: Lennard-Jones potential for protons
Mark Abraham
2013/07/04
Re: [gmx-users] fftw compile error for 4.6.2
Mark Abraham
2013/07/04
Re: [gmx-users] Re: g_velacc
Dr. Vitaly Chaban
2013/07/04
Re: [gmx-users] Re: Re: Lennard-Jones potential for protons
Dr. Vitaly Chaban
2013/07/04
Re: [gmx-users] Re: g_velacc
David van der Spoel
2013/07/04
[gmx-users] fftw compile error for 4.6.2
Albert
2013/07/03
[gmx-users] Re: g_velacc
Ishwor
2013/07/03
Re: [gmx-users] g_velacc
David van der Spoel
2013/07/03
[gmx-users] g_velacc
Ishwor
2013/07/03
[gmx-users] Re: Re: Lennard-Jones potential for protons
Jong Wha Lee
2013/07/03
Re: [gmx-users] unwrap trajectory file using -pbc nojump
Tsjerk Wassenaar
2013/07/03
[gmx-users] unwrap trajectory file using -pbc nojump
Yutian Yang
2013/07/03
Re: [gmx-users] Atomtype OWT3 not found during EM step
Justin Lemkul
2013/07/03
Re: [gmx-users] Atomtype OWT3 not found during EM step
Dr. Vitaly Chaban
2013/07/03
[gmx-users] Atomtype OWT3 not found during EM step
juganta
2013/07/03
[gmx-users] Atomtype OWT3 not found during EM step
Juganta K. Roy
2013/07/03
Re: Re: [gmx-users] how to deal with LINCS warnings despite prolonged stabilization of the system?
Mark Abraham
2013/07/03
Re: Re: [gmx-users] how to deal with LINCS warnings despite prolonged stabilization of the system?
Anna Marabotti
2013/07/03
Re: [gmx-users] Lennard-Jones potential for protons
Dr. Vitaly Chaban
2013/07/03
Re: [gmx-users] how to deal with LINCS warnings despite prolonged stabilization of the system?
Mark Abraham
2013/07/03
[gmx-users] how to deal with LINCS warnings despite prolonged stabilization of the system?
Anna Marabotti
2013/07/03
Re: [gmx-users] Testing the performance of
Mark Abraham
2013/07/03
[gmx-users] Testing the performance of
Richa Singh
2013/07/03
Re: [gmx-users] Lennard-Jones potential for protons
Mark Abraham
2013/07/03
[gmx-users] Lennard-Jones potential for protons
Jong Wha Lee
2013/07/02
Re: [gmx-users] problem in g_membed
Justin Lemkul
2013/07/02
[gmx-users] Re: gmx-users problem in g_membed Digest, Vol 111, Issue 8
Pavithra
2013/07/02
Re: [gmx-users] Cannot get velocities from the trajectory file
Silvia Di Lecce
2013/07/02
Re: [gmx-users] cmake + Intel + CUDA + gcc 4.1.2 = bad time
Malcolm Tobias
2013/07/02
Re: [gmx-users] remd
Mark Abraham
2013/07/02
Re: [gmx-users] cmake + Intel + CUDA + gcc 4.1.2 = bad time
Mark Abraham
2013/07/02
[gmx-users] RE: Is non-linear data output/storage possible?
Thomas Schlesier
2013/07/02
Re: [gmx-users] Help needed in installation
Tsjerk Wassenaar
2013/07/02
[gmx-users] cmake + Intel + CUDA + gcc 4.1.2 = bad time
Malcolm Tobias
2013/07/02
[gmx-users] Help needed in installation
Sonika Gahlawat
2013/07/02
Re: [gmx-users] Cannot get velocities from the trajectory file
Tsjerk Wassenaar
2013/07/02
[gmx-users] remd
Shine A
2013/07/02
[gmx-users] Cannot get velocities from the trajectory file
Silvia
2013/07/02
[gmx-users] RE: Is non-linear data output/storage possible?
Neha
2013/07/02
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Justin Lemkul
2013/07/02
[gmx-users] RE: Is non-linear data output/storage possible?
Neha
2013/07/02
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Justin Lemkul
2013/07/02
[gmx-users] RE: Is non-linear data output/storage possible?
Neha
2013/07/02
Re: [gmx-users] problem in g_membed
Justin Lemkul
2013/07/02
[gmx-users] Re: Cite
Justin Lemkul
2013/07/02
[gmx-users] problem in g_membed
Pavithra
2013/07/02
Re: [gmx-users] Re: Problem calculating RMSD with gromos
Justin Lemkul
2013/07/02
[gmx-users] Re: Problem calculating RMSD with gromos
Melchor S.
2013/07/02
Re: [gmx-users] remd
Richard Broadbent
2013/07/02
Re: [gmx-users] Re: Problem calculating RMSD with gromos
Tsjerk Wassenaar
2013/07/02
[gmx-users] Re: Problem calculating RMSD with gromos
Melchor S.
2013/07/02
Re: [gmx-users] Problem calculating RMSD with gromos
Tsjerk Wassenaar
2013/07/02
Re: [gmx-users] Missing frames in trajectory?
Mark Abraham
2013/07/02
[gmx-users] Problem calculating RMSD with gromos
Melchor S.
2013/07/02
Re: [gmx-users] Missing frames in trajectory?
Humphrey Morhenn
2013/07/02
Re: [gmx-users] Missing frames in trajectory?
Justin Lemkul
2013/07/02
[gmx-users] Missing frames in trajectory?
Humphrey Morhenn
2013/07/02
Re: [gmx-users] remd
Justin Lemkul
2013/07/02
Re: [gmx-users] UMBRELLA SAMPLING
Erik Marklund
2013/07/02
[gmx-users] UMBRELLA SAMPLING
battis...@libero.it
2013/07/02
[gmx-users] gromacs
battis...@libero.it
2013/07/02
Re: [gmx-users] remd
Richard Broadbent
2013/07/02
[gmx-users] remd
Shine A
2013/07/02
Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX
Tsjerk Wassenaar
2013/07/01
Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX
Gaurav Goel
2013/07/01
[gmx-users] TRACE OF RMSD COMPARISON MATRIX
Richa Singh
2013/07/01
Re: [gmx-users] energy groups for specific parts of the molecule
Justin Lemkul
2013/07/01
[gmx-users] energy groups for specific parts of the molecule
Hovakim Grabski
2013/07/01
Re: [gmx-users] Computational slow downs when using oscillatory electric field
Mark Abraham
2013/07/01
[gmx-users] Computational slow downs when using oscillatory electric field
Quick, Ross
2013/07/01
Re: [gmx-users] TPI Results differ in v4.5.7 and v4.6.1
João M . Damas
2013/07/01
Re: [gmx-users] D-aminoacids in input file
Tsjerk Wassenaar
2013/07/01
[gmx-users] Re: Covariance file format
Ankita naithani
2013/07/01
Re: [gmx-users] Re: Covariance file format
Tsjerk Wassenaar
2013/07/01
[gmx-users] D-aminoacids in input file
Shima Arasteh
2013/07/01
[gmx-users] ANN: mdtraj 0.3 released
Robert McGibbon
2013/07/01
[gmx-users] Re: Angle Distribution
Steven Neumann
2013/07/01
[gmx-users] Angle Distribution
Steven Neumann
2013/07/01
[gmx-users] Re: Covariance file format
Ankita naithani
2013/06/30
Re: [gmx-users] Re: Covariance file format
Tsjerk Wassenaar
2013/06/30
Re: [gmx-users] Re: Covariance file format
Tsjerk Wassenaar
2013/06/30
[gmx-users] Re: Covariance file format
Ankita naithani
2013/06/30
Re: [gmx-users] Covariance file format
Tsjerk Wassenaar
2013/06/30
[gmx-users] Covariance file format
Ankita naithani
2013/06/30
Re: [gmx-users] unit conversion
Justin Lemkul
2013/06/30
[gmx-users] unit conversion
Hyunjin Kim
2013/06/30
[gmx-users] Re: Pulling
Thomas Schlesier
2013/06/30
Re: [gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O
David van der Spoel
2013/06/30
[gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O
Wu Chaofu
2013/06/29
Re: [gmx-users] Installation on Ubuntu 12.04LTS
Mare Libero
2013/06/29
Re: [gmx-users] g_energy units
Mark Abraham
2013/06/29
[gmx-users] g_energy units
Leandro Bortot
2013/06/29
Re: [gmx-users] TPI Results differ in v4.5.7 and v4.6.1
João M . Damas
2013/06/27
[gmx-users] Pulling
Kieu Thu Nguyen
2013/06/27
Re: [gmx-users] PBC problem
Tsjerk Wassenaar
2013/06/27
Re: [gmx-users] clarification of equation 4.65
Mark Abraham
2013/06/27
[gmx-users] PBC problem
Yutian Yang
2013/06/27
Re: [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results
Sapna Sarupria
2013/06/27
Re: [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results
Justin Lemkul
2013/06/27
Re: [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results
Sapna Sarupria
2013/06/27
Re: [gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results
Justin Lemkul
2013/06/27
[gmx-users] clarification of equation 4.65
Christopher Neale
2013/06/27
[gmx-users] Gromacs 4.5.4 and Gromacs 4.5.5 give different results
sarupria
2013/06/27
Re: [gmx-users] multiple chain restrain problem
Albert
2013/06/27
Re: [gmx-users] Visualize Protein ligand complex
Tsjerk Wassenaar
2013/06/27
Re: [gmx-users] still dealing with GFP-like chromophore with LINCS warnings
Baptiste Demoulin
2013/06/27
Re: [gmx-users] Visualize Protein ligand complex
Thales Kronenberger
2013/06/27
Re: [gmx-users] Protein RMSD high
tarak karmakar
2013/06/27
Re: [gmx-users] Installation on Ubuntu 12.04LTS
Szilárd Páll
2013/06/27
[gmx-users] Visualize Protein ligand complex
Sainitin Donakonda
2013/06/27
[gmx-users] still dealing with GFP-like chromophore with LINCS warnings
Anna Marabotti
2013/06/27
Re: [gmx-users] Installation on Ubuntu 12.04LTS
Mark Abraham
2013/06/27
Re: [gmx-users] multiple chain restrain problem
Justin Lemkul
2013/06/27
Re: [gmx-users] Dear Sir
Justin Lemkul
2013/06/27
Re: Re: Re: [gmx-users] GPU-based workstation
James Starlight
2013/06/27
[gmx-users] Installation on Ubuntu 12.04LTS
Mare Libero
2013/06/27
[gmx-users] multiple chain restrain problem
Albert
2013/06/27
[gmx-users] Dear Sir
Sathish Kumar
2013/06/27
Re: [gmx-users] REMD
Mark Abraham
2013/06/27
Re: [gmx-users] Protein RMSD high
Mark Abraham
2013/06/27
[gmx-users] Protein RMSD high
tarak karmakar
2013/06/26
[gmx-users] REMD
Shine A
2013/06/26
Re: [gmx-users] Gromacs GPU system question
Szilárd Páll
2013/06/26
Re: [gmx-users] Re: Membrane Runs Crashing
Justin Lemkul
2013/06/26
[gmx-users] Re: Membrane Runs Crashing
Neha
2013/06/26
Re: [gmx-users] Extending Simulations
Justin Lemkul
2013/06/26
Re: [gmx-users] Extending Simulations
HANNIBAL LECTER
2013/06/26
[gmx-users] Extending Simulations
Neha
2013/06/26
[gmx-users] Re: 1-4 interactions free energy calculations
Sonia Aguilera
2013/06/26
[gmx-users] Re: Settles vs. 3 normal constraints (energy conservation problem)
S. Alireza Bagherzadeh
2013/06/26
Re: [gmx-users] g__dist calculate the distance of two residues from different loops
Justin Lemkul
2013/06/26
[gmx-users] g__dist calculate the distance of two residues from different loops
aixintiankong
2013/06/26
[gmx-users] Re: Tabulated Potentials
Andrish Reddy
2013/06/26
Re: [gmx-users] AMBER to GROMACS conversion
Bruce D. Ray
2013/06/26
Re: [gmx-users] Re: QM/MM simulations
Justin Lemkul
2013/06/26
[gmx-users] Re: QM/MM simulations
DavidPO
2013/06/26
[gmx-users] Fwd: Gromac trr analysis, wired interacation
Mark Abraham
2013/06/26
Re: [gmx-users] Tabulated angles - how to use?
Mark Abraham
2013/06/26
[gmx-users] Tabulated angles - how to use?
Steven Neumann
2013/06/26
Re: Fw: [gmx-users] ***using output of dl_poly in gromacs??***
David van der Spoel
2013/06/26
Re: [gmx-users] Intel vs gcc compilers
Djurre de Jong-Bruinink
2013/06/26
Fw: [gmx-users] ***using output of dl_poly in gromacs??***
hamid mosaddeghi
2013/06/25
Re: [gmx-users] ***using output of dl_poly in gromacs??***
David van der Spoel
2013/06/25
[gmx-users] Re: greetings
Justin Lemkul
2013/06/25
Re: [gmx-users] GPU / CPU load imblance
Justin Lemkul
2013/06/25
Re: [gmx-users] Re: 1-4 interactions free energy calculations
Justin Lemkul
2013/06/25
Re: [gmx-users] Re: 1-4 interactions free energy calculations
Michael Shirts
2013/06/25
Re: [gmx-users] AMBER to GROMACS conversion
Parker de Waal
2013/06/25
Re: [gmx-users] AMBER to GROMACS conversion
Mark Abraham
2013/06/25
[gmx-users] AMBER to GROMACS conversion
Parker de Waal
2013/06/25
[gmx-users] GPU / CPU load imblance
Dwey
2013/06/25
[gmx-users] Default Electrostatic Algorithm for User Defined Potential
Shi, Yu (shiy4)
2013/06/25
[gmx-users] Re: 1-4 interactions free energy calculations
Sonia Aguilera
2013/06/25
[gmx-users] ***using output of dl_poly in gromacs??***
hamid mosaddeghi
2013/06/25
Re: [gmx-users] Intel vs gcc compilers
Mark Abraham
2013/06/25
Re: [gmx-users] Intel vs gcc compilers
Pedro Lacerda
2013/06/25
Re: [gmx-users] EM problem
Mark Abraham
2013/06/25
[gmx-users] EM problem
Kieu Thu Nguyen
2013/06/25
Re: [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.
Steven Neumann
2013/06/25
[gmx-users] g_correlation tool for gromacs-4.5.x
Navjeet Ahalawat
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