Messages by Date
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2013/07/19
Re: [gmx-users] QMMM number of thread
SEMRAN İPEK
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2013/07/19
Re: [gmx-users] QMMM number of thread
Javier Cerezo
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2013/07/18
[gmx-users] QMMM number of thread
SEMRAN İPEK
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2013/07/18
Re: [gmx-users] Multi-level parallelization: MPI + OpenMP
Éric Germaneau
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2013/07/18
Re: [gmx-users] g_hbond for trajectory without having box information
bipin singh
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2013/07/18
Re: [gmx-users] g_hbond for trajectory without having box information
David van der Spoel
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2013/07/18
[gmx-users] g_hbond for trajectory without having box information
bipin singh
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2013/07/18
[gmx-users] Multi-level parallelization: MPI + OpenMP
Éric Germaneau
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2013/07/18
[gmx-users] segfault with an otherwise stable system when I turn on FEP (complete decoupling)
Christopher Neale
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2013/07/18
Re: [gmx-users] segfault with an otherwise stable system when I turn on FEP (complete decoupling)
Michael Shirts
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2013/07/18
[gmx-users] segfault with an otherwise stable system when I turn on FEP (complete decoupling)
Christopher Neale
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Justin Lemkul
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Rasoul Nasiri
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2013/07/18
Re: [gmx-users] meaning of results of g_hbond -ac
Erik Marklund
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Justin Lemkul
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Rasoul Nasiri
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Rasoul Nasiri
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2013/07/18
Re: [gmx-users] glibc detected *** g_sas_d
Justin Lemkul
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2013/07/18
[gmx-users] glibc detected *** g_sas_d
Rasoul Nasiri
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2013/07/17
Re: [gmx-users] mdrun no error, but hangs no results
Mark Abraham
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2013/07/17
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Michael Shirts
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2013/07/17
[gmx-users] meaning of results of g_hbond -ac
Wu Chaofu
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2013/07/17
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Dejun Lin
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2013/07/17
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Michael Shirts
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2013/07/17
Re: [gmx-users] Re: window exchange umbrella sampling
Michael Shirts
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2013/07/17
[gmx-users] Re: window exchange umbrella sampling
Parisa
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2013/07/17
Aw: Re: [gmx-users] defining impropers necessary?
lloyd riggs
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2013/07/17
Re: [gmx-users] replica exchange and gpu
Mark Abraham
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2013/07/17
Re: [gmx-users] defining impropers necessary?
Justin Lemkul
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2013/07/17
Re: [gmx-users] defining impropers necessary?
gromacs query
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2013/07/17
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
Mark Abraham
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2013/07/17
Re: [gmx-users] defining impropers necessary?
Justin Lemkul
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2013/07/17
[gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Dejun Lin
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2013/07/17
Re: [gmx-users] defining impropers necessary?
gromacs query
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2013/07/17
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
gigo
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2013/07/17
[gmx-users] mdrun no error, but hangs no results
Shi, Yu (shiy4)
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2013/07/17
Re: [gmx-users] defining impropers necessary?
Justin Lemkul
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2013/07/17
Re: [gmx-users] defining impropers necessary?
gromacs query
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Justin Lemkul
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Sainitin Donakonda
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Sainitin Donakonda
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2013/07/17
Re: [gmx-users] defining impropers necessary?
Justin Lemkul
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Justin Lemkul
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2013/07/17
[gmx-users] defining impropers necessary?
gromacs query
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Justin Lemkul
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Sainitin Donakonda
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2013/07/17
[gmx-users] replica exchange and gpu
Jacopo Sgrignani
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Justin Lemkul
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2013/07/17
[gmx-users] Re: Problem with Amber99SB-ILDN ff
Melchor S.
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Sainitin Donakonda
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2013/07/17
Re: [gmx-users] Problem with PME in LIE
Justin Lemkul
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2013/07/17
[gmx-users] Problem with PME in LIE
Sainitin Donakonda
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] extraction of PDB from clusters.pdb
pooja_gupta
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2013/07/17
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/17
Re: [gmx-users] extraction of PDB from clusters.pdb
HANNIBAL LECTER
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/17
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/17
Re: [gmx-users] TFE-water simulation
Justin Lemkul
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2013/07/17
Re: [gmx-users] TFE-water simulation
Archana Sonawani-Jagtap
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2013/07/17
Re: [gmx-users] How to convert a cpt file to an old version of gromacs
Mark Abraham
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2013/07/17
Re: [gmx-users] TFE-water simulation
Justin Lemkul
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2013/07/17
Re: [gmx-users] How to convert a cpt file to an old version of gromacs
Justin Lemkul
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2013/07/16
Re: [gmx-users] entropy calculation
pooja_gupta
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2013/07/16
[gmx-users] TFE-water simulation
Archana Sonawani-Jagtap
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2013/07/16
[gmx-users] extraction of PDB from clusters.pdb
Shine A
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2013/07/16
[gmx-users] How to convert a cpt file to an old version of gromacs
Souilem Safa
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2013/07/16
Re: [gmx-users] Re: window exchange umbrella sampling
Michael Shirts
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2013/07/16
Re: [gmx-users] Bilayer curvature
Justin Lemkul
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2013/07/16
[gmx-users] Re: window exchange umbrella sampling
Parisa
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2013/07/16
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Michael Shirts
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2013/07/16
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Dejun Lin
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2013/07/16
Re: [gmx-users] window exchange umbrella sampling
Michael Shirts
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2013/07/16
Re: [gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Michael Shirts
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2013/07/16
[gmx-users] window exchange umbrella sampling
Parisa Akhshi
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2013/07/16
[gmx-users] Bilayer curvature
Dariush Mohammadyani
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2013/07/16
[gmx-users] Re: gmx 4.6.1, Expanded ensemble: weird balancing factors
Dejun Lin
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2013/07/16
[gmx-users] Re: Problem with energy minimization parameters
Sainitin Donakonda
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2013/07/16
[gmx-users] Exclude ions from spherical region
Joshua Adelman
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2013/07/16
[gmx-users] Problem with energy minimization parameters
Sainitin Donakonda
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2013/07/16
Re: [gmx-users] Problem with energy minimization parameters
Justin Lemkul
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2013/07/16
Re: Fw: [gmx-users] make an index file of COM of lipid bilayer
Justin Lemkul
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2013/07/16
Fw: [gmx-users] make an index file of COM of lipid bilayer
Shima Arasteh
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2013/07/16
Re: [gmx-users] make an index file of COM of lipid bilayer
Justin Lemkul
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2013/07/16
Re: [gmx-users] entropy calculation
Justin Lemkul
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2013/07/16
Re: [gmx-users] Reverse_MICELLE>Fatel error, moleculetype SOL is redefined
Justin Lemkul
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2013/07/16
[gmx-users] application of MM-GBSA
Arunima Shilpi
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2013/07/16
Re: [gmx-users] Chlorate ion force field
Srinivasa Rao Varanasi
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2013/07/16
[gmx-users] make an index file of COM of lipid bilayer
Shima Arasteh
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2013/07/16
[gmx-users] aminoacids protonation in different ph
fatemeh ramezani
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2013/07/16
[gmx-users] entropy calculation
pooja_gupta
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2013/07/16
Re: [gmx-users] Chlorate ion force field
Dr. Vitaly Chaban
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2013/07/15
Re: [gmx-users] Re: extreme projections
Rashmi
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2013/07/15
[gmx-users] Chlorate ion force field
Sushma Yadav
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2013/07/15
[gmx-users] Reverse_MICELLE>Fatel error, moleculetype SOL is redefined
Hari Pandey
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2013/07/15
[gmx-users] Re: enery conserving problem in NVE simulations with SMW4-NPD polarizable force field
S. Alireza Bagherzadeh
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2013/07/15
Aw: Re: [gmx-users] How to calculate enthalpy
lloyd riggs
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2013/07/15
Re: [gmx-users] How to make changes on Trajectory file?
Rama Krishna Koppisetti
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2013/07/15
Re: [gmx-users] How to make changes on Trajectory file?
Justin Lemkul
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2013/07/15
[gmx-users] How to make changes on Trajectory file?
Rama
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2013/07/15
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Justin Lemkul
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2013/07/15
[gmx-users] RE: Is non-linear data output/storage possible?
Neha
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2013/07/15
Re: [gmx-users] Re: snapshot
Rama Krishna Koppisetti
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2013/07/15
[gmx-users] Re: snapshot
Thomas Schlesier
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2013/07/15
Re: Fw: [gmx-users] AMINOACIDS
Justin Lemkul
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2013/07/15
Re: [gmx-users] snapshot
Rama Krishna Koppisetti
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2013/07/15
Re: [gmx-users] snapshot
Justin Lemkul
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2013/07/15
Re: [gmx-users] snapshot
Rama Krishna Koppisetti
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
rajat desikan
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
Justin Lemkul
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2013/07/15
Re: Fw: [gmx-users] AMINOACIDS
Justin Lemkul
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
Justin Lemkul
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
rajat desikan
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2013/07/15
Fw: [gmx-users] AMINOACIDS
fatemeh ramezani
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
rajat desikan
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2013/07/15
Re: [gmx-users] Using the checkpoint file to restore corrupt trajectory.
Justin Lemkul
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2013/07/15
[gmx-users] Using the checkpoint file to restore corrupt trajectory.
Rajat Desikan
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2013/07/15
Re: [gmx-users] AMINOACIDS
Justin Lemkul
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2013/07/15
[gmx-users] AMINOACIDS
fatemeh ramezani
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2013/07/15
[gmx-users] enery conserving problem in NVE simulations with SMW4-NPD polarizable force field
Ding Yun
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2013/07/15
Re: [gmx-users] How to calculate enthalpy
Dr. Vitaly Chaban
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2013/07/15
Re: [gmx-users] How to calculate enthalpy
pooja_gupta
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2013/07/15
Re: [gmx-users] How to calculate enthalpy
Albert
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2013/07/15
Re: [gmx-users] How to calculate enthalpy
Dr. Vitaly Chaban
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2013/07/15
[gmx-users] How to calculate enthalpy
pooja_gupta
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2013/07/15
Re: [gmx-users] snapshot
Dr. Vitaly Chaban
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2013/07/14
RE: [gmx-users] Figures of PCA analysis
Dallas Warren
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2013/07/14
Re: [gmx-users] snapshot
Justin Lemkul
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2013/07/14
[gmx-users] snapshot
Rama
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2013/07/14
[gmx-users] Re: extreme projections
Ahmet yıldırım
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2013/07/14
Re: [gmx-users] Figures of PCA analysis
Ahmet yıldırım
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2013/07/14
Re: [gmx-users] Cyclic Peptide Topology
Justin Lemkul
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2013/07/14
[gmx-users] Cyclic Peptide Topology
jriedel
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2013/07/14
Re: [gmx-users] acidic pH
Justin Lemkul
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2013/07/14
[gmx-users] acidic pH
fatemeh ramezani
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2013/07/14
Re: [gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin
bhf70
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2013/07/14
Re: [gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin
Justin Lemkul
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2013/07/14
Re: [gmx-users] qm-mm calculation
Justin Lemkul
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2013/07/14
[gmx-users] How to compile Cygwin 4.6.3 for Windows using Cygwin
bhf70
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2013/07/14
[gmx-users] qm-mm calculation
Nilesh Dhumal
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2013/07/14
Re: [gmx-users] a question on energygrps
Justin Lemkul
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2013/07/14
[gmx-users] Restraints influeincing free energy calculations
Nash, Anthony
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2013/07/14
[gmx-users] a question on energygrps
Albert
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2013/07/13
Re: [gmx-users] rdf
Justin Lemkul
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2013/07/13
[gmx-users] rdf
Ishwor
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2013/07/13
Re: [gmx-users] Mass in GMX topology
Dr. Vitaly Chaban
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2013/07/13
[gmx-users] How do I make an AOT reverse micelle, which package I should use
ABEL Stephane 175950
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2013/07/13
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
Mark Abraham
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2013/07/12
Re: [gmx-users] editconf: Invalid command line argument: –f
Tsjerk Wassenaar
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2013/07/12
[gmx-users] How do I make an AOT reverse micell, which package I should use
Hari Pandey
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2013/07/12
[gmx-users] About Solvation dynamics
Hari Pandey
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2013/07/12
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
gigo
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2013/07/12
[gmx-users] editconf: Invalid command line argument: –f
Jonathan Saboury
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2013/07/12
[gmx-users] Maxwell-Stefan diffusion coefficient
Rasoul Nasiri
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2013/07/12
[gmx-users] qm-mm calculation
Nilesh Dhumal
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2013/07/12
Re: [gmx-users] Re: Umbrella Sampling settings
Justin Lemkul
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2013/07/12
Re: [gmx-users] Re: Umbrella Sampling settings
Shima Arasteh
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2013/07/12
[gmx-users] request for a/v material for promotional video
Mark Abraham
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2013/07/12
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
Mark Abraham
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2013/07/12
[gmx-users] Re: Umbrella Sampling settings
Thomas Schlesier
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2013/07/12
Re: [gmx-users] Umbrella Sampling settings
Shima Arasteh
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2013/07/12
Re: [gmx-users] remd
gigo
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2013/07/12
Re: [gmx-users] Umbrella Sampling settings
Justin Lemkul
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2013/07/12
Re: [gmx-users] gpu cluster explanation
Richard Broadbent
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2013/07/12
Re: [gmx-users] Umbrella Sampling settings
Shima Arasteh
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2013/07/12
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
gigo
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2013/07/12
Re: [gmx-users] Gromacs installation problem
Douglas Houston
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2013/07/12
Re: [gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading
Justin Lemkul
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2013/07/12
[gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading
maggin
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2013/07/12
[gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading
maggin
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2013/07/12
[gmx-users] DCD can not open file 'md_0_1.xtc' for reading
maggin
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2013/07/12
[gmx-users] gpu cluster explanation
Francesco
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2013/07/12
Re: [gmx-users] Gromacs installation problem
Mark Abraham
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2013/07/12
Re: [gmx-users] convert gromacs formats and xyz
Mark Abraham
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2013/07/12
[gmx-users] convert gromacs formats and xyz
maggin
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2013/07/12
[gmx-users] Gromacs installation problem
Douglas Houston
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2013/07/12
[gmx-users] Re: Umbrella Sampling settings
Thomas Schlesier
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2013/07/12
Re: [gmx-users] Umbrella Sampling settings
Shima Arasteh
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2013/07/12
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Mark Abraham
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2013/07/12
Re: [gmx-users] Problems with REMD in Gromacs 4.6.3
Mark Abraham
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2013/07/12
Re: [gmx-users] AVX2 SIMD intrinsics speed boost
Erik Lindahl
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2013/07/11
[gmx-users] remd
Shine A
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2013/07/11
[gmx-users] Problems with REMD in Gromacs 4.6.3
gigo
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2013/07/11
[gmx-users] Problems with REMD in Gromacs 4.6.3
gigo
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2013/07/11
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Justin Lemkul
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2013/07/11
[gmx-users] RE: Is non-linear data output/storage possible?
Neha
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2013/07/11
Re: [gmx-users] Umbrella Sampling settings
Justin Lemkul
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2013/07/11
Re: [gmx-users] Umbrella Sampling settings
Shima Arasteh
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2013/07/11
Re: [gmx-users] Umbrella Sampling settings
Justin Lemkul
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2013/07/11
Re: [gmx-users] RE: Is non-linear data output/storage possible?
Justin Lemkul
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2013/07/11
[gmx-users] Accounting for the solvent with -rerun?
Leandro Bortot
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2013/07/11
[gmx-users] Umbrella Sampling settings
Shima Arasteh
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2013/07/11
[gmx-users] RE: Is non-linear data output/storage possible?
Neha