March 2013 Archives by date
Starting: Fri Mar 1 01:55:32 CET 2013
Ending: Sun Mar 31 23:37:08 CEST 2013
Messages: 709
- [gmx-users] Problems with divalent cations
Justin Lemkul
- [gmx-users] Fwd: Command line to obtain multiple eigenvectors
Ashalatha Sreshty
- [gmx-users] Gromos43A1-S3 lipid parameters
Kukol, Andreas
- [gmx-users] Preparation protein-ligand complex
James Starlight
- [gmx-users] Preparation protein-ligand complex
Thomas Evangelidis
- [gmx-users] Preparation protein-ligand complex
Felipe Pineda, PhD
- [gmx-users] Fwd: Command line to obtain multiple eigenvectors
Justin Lemkul
- [gmx-users] Gromos43A1-S3 lipid parameters
Venkat Reddy
- [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster
Szilárd Páll
- [gmx-users] do_dssp
Miguel Ángel Mompeán García
- [gmx-users] Reduction in dihedral types after grompp
francesco oteri
- [gmx-users] do_dssp with 4.6
Miguel Ángel Mompeán García
- [gmx-users] do_dssp
Erik Marklund
- [gmx-users] removing number of sol
gromacs query
- [gmx-users] Re:Re: wrong bonds generate by g_x2top
zhhxu
- [gmx-users] removing number of sol
Erik Marklund
- [gmx-users] do_dssp
Erik Marklund
- [gmx-users] removing number of sol
gromacs query
- [gmx-users] removing number of sol
Justin Lemkul
- [gmx-users] Re:Re: wrong bonds generate by g_x2top
Justin Lemkul
- [gmx-users] removing number of sol
Erik Marklund
- [gmx-users] removing number of sol
Erik Marklund
- [gmx-users] Preparation protein-ligand complex
James Starlight
- [gmx-users] removing number of sol
gromacs query
- [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster
George Patargias
- AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current
Florian Dommert
- [gmx-users] Preparation protein-ligand complex
Thomas Evangelidis
- [gmx-users] distance restraint
Linlin Sun
- [gmx-users] protein-ligand simulation-query
Revthi Sanker
- [gmx-users] Error bars - g_wham
Jochen Hub
- [gmx-users] ORCA/Gromacs, run with queue system
Andrey V Golovin
- [gmx-users] removing number of sol
Erik Marklund
- [gmx-users] do_dssp
Miguel Ángel Mompeán García
- [gmx-users] do_dssp
Justin Lemkul
- [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster
Szilárd Páll
- [gmx-users] do_dssp
Erik Marklund
- [gmx-users] do_dssp
Miguel Ángel Mompeán García
- [gmx-users] Installation Problems with Gromacs4.6
Abhishek Acharya
- [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster
Albert
- [gmx-users] ERROR No default G96Angle types
Villarealed
- [gmx-users] Installation Problems with Gromacs4.6
Mark Abraham
- [gmx-users] ERROR No default G96Angle types
Justin Lemkul
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Christoph Junghans
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Abhishek Acharya
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
swati rana
- [gmx-users] Fw:some waters in active site of receptor
aixintiankong
- [gmx-users] removing number of sol
gromacs query
- [gmx-users] Semiisotropic pressure coupling problem
congchen
- [gmx-users] implicit solvent
aixintiankong
- [gmx-users] do_dssp
Erik Marklund
- [gmx-users] removing number of sol
Erik Marklund
- [gmx-users] Shifting in Verlet cut-off schemes?
Yun Shi
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
Justin Lemkul
- AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current
Nilesh Dhumal
- [gmx-users] Re:Gromacs auxillary tools ideas
lloyd riggs
- [gmx-users] mpirun: cannot open .tpr file
Ewaru
- [gmx-users] error in energy minimzation step
az kalsom
- [gmx-users] mpirun: cannot open .tpr file
Justin Lemkul
- [gmx-users] error in energy minimzation step
Justin Lemkul
- [gmx-users] Thread affinity setting failed
Reid Van Lehn
- [gmx-users] Switching functions for only some molecules
Jeff Yew
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
swati rana
- [gmx-users] Error when extending simulation
sebastian
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Mark Abraham
- [gmx-users] Thread affinity setting failed
Mark Abraham
- [gmx-users] H-D-A angle in H-bond
mcapar
- [gmx-users] X particles communicated to PME node Y are more ...
Miguel Ángel Mompeán García
- [gmx-users] Difference in Number of contacts through g_hbond and g_mindist
bipin singh
- [gmx-users] Protein-ligand simulation
Ankita naithani
- [gmx-users] Switching functions for only some molecules
Justin Lemkul
- [gmx-users] H-D-A angle in H-bond
Justin Lemkul
- [gmx-users] X particles communicated to PME node Y are more ...
Justin Lemkul
- [gmx-users] Difference in Number of contacts through g_hbond and g_mindist
Justin Lemkul
- [gmx-users] Protein-ligand simulation
Justin Lemkul
- [gmx-users] Re: Output for rmsd and radius of gyration doubts
Ewaru
- [gmx-users] Re: Output for rmsd and radius of gyration doubts
Justin Lemkul
- [gmx-users] Difference in Number of contacts through g_hbond and g_mindist
bipin singh
- [gmx-users] Difference in Number of contacts through g_hbond and g_mindist
Erik Marklund
- [gmx-users] Re: Output for rmsd and radius of gyration doubts
Ewaru
- [gmx-users] Re: Output for rmsd and radius of gyration doubts
Justin Lemkul
- [gmx-users] Re: Output for rmsd and radius of gyration doubts
Ewaru
- [gmx-users] about simulation runs
amna khan
- [gmx-users] about simulation runs
Justin Lemkul
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] g_hbond and contact
Justin Lemkul
- [gmx-users] Difference in Number of contacts through g_hbond and g_mindist
bipin singh
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] about simulation runs
amna khan
- [gmx-users] about simulation runs
amna khan
- [gmx-users] g_hbond and contact
Justin Lemkul
- [gmx-users] about simulation runs
Justin Lemkul
- [gmx-users] Re: ERROR No default G96Angle types
Villarealed
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] g_hbond and contact
Justin Lemkul
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Abhishek Acharya
- [gmx-users] X particles communicated to PME node Y are more ...
Miguel Ángel Mompeán García
- [gmx-users] X particles communicated to PME node Y are more ...
Justin Lemkul
- [gmx-users] Thread affinity setting failed
Szilárd Páll
- [gmx-users] X particles communicated to PME node Y are more ...
Miguel Ángel Mompeán García
- [gmx-users] X particles communicated to PME node Y are more ...
Justin Lemkul
- [gmx-users] Time-Dependent Electric Field
raquick
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Mark Abraham
- [gmx-users] Shifting in Verlet cut-off schemes?
Mark Abraham
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Abhishek Acharya
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] Errors in compiling gromacs 4.5.6
Ekta Jain
- [gmx-users] Time-Dependent Electric Field
Erik Marklund
- [gmx-users] g_hbond and contact
Erik Marklund
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] Error when extending simulation
sebastian
- [gmx-users] costu, fragment force field
nemethl at pharm.u-szeged.hu
- [gmx-users] translation of the system - regd
ramesh cheerla
- [gmx-users] g_hbond and contact
Erik Marklund
- [gmx-users] g_hbond and contact
Kavyashree M
- [gmx-users] Re: gInstallation Problems with Gromacs4.6
Mark Abraham
- [gmx-users] Errors in compiling gromacs 4.5.6
Mark Abraham
- [gmx-users] Error when extending simulation
Justin Lemkul
- [gmx-users] Error when extending simulation
Mark Abraham
- [gmx-users] Error when extending simulation
sebastian
- [gmx-users] Re: BAR histogram results
Sonia Aguilera
- [gmx-users] GROMACS 4.6.1 released
Mark Abraham
- [gmx-users] GROMACS 4.6.1 released
Szilárd Páll
- [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?
Christopher Neale
- [gmx-users] only 4 zero eigvals for NMA
Hyuntae Na
- [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?
francesco oteri
- [gmx-users] how to get pdb2gmx to use an arbitrarily located forcefield.ff directory?
Christopher Neale
- [gmx-users] Re: BAR histogram results
Justin Lemkul
- [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)
fciocco
- [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)
Justin Lemkul
- [gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)
Facundo Ciocco Aloia
- [gmx-users] GROMACS 4.6.1 released
Albert
- [gmx-users] query for gromacs-4.5.4
Chaitali Chandratre
- [gmx-users] GROMACS 4.6.1 released
lloyd riggs
- [gmx-users] problem with a complex cofactor
Anna Marabotti
- [gmx-users] GROMACS 4.6.1 released
Mark Abraham
- [gmx-users] problem with a complex cofactor
Justin Lemkul
- [gmx-users] query for gromacs-4.5.4
Justin Lemkul
- [gmx-users] md engine detection for different force field
gromacs query
- [gmx-users] md engine detection for different force field
Justin Lemkul
- [gmx-users] md engine detection for different force field
gromacs query
- [gmx-users] Re: Re: problem with a complex cofactor
Anna Marabotti
- [gmx-users] DSSP Installation Error
Amjad Farooq
- [gmx-users] Pca 3d structure ?
라지브간디
- AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current
Nilesh Dhumal
- [gmx-users] GROMACS 4.6.1 released
Debasmita Biswal
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Christoph Junghans
- [gmx-users] Pca 3d structure ?
Tsjerk Wassenaar
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Christoph Junghans
- [gmx-users] reg binding free energy
Vishwambhar Bhandare
- [gmx-users] reg binding free energy
Justin Lemkul
- [gmx-users] paca 3d structure???
라지브간디
- [gmx-users] Thread affinity setting failed
Reid Van Lehn
- [gmx-users] Thread affinity setting failed
Roland Schulz
- [gmx-users] paca 3d structure???
Tsjerk Wassenaar
- [gmx-users] Topology of Graphite Oxide
zhhxu
- AW: AW: AW: AW: AW: AW: AW: AW: [gmx-users] g_current
Florian Dommert
- [gmx-users] Re: RDF calculation
Keerthana S.P Periasamy
- [gmx-users] reg binding free energy
Erik Marklund
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Evren Yurtesen IB
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Berk Hess
- [gmx-users] Special bonds with terminal residue
Baptiste Demoulin
- [gmx-users] Hamiltonian replica exchange umbrella sampling with gmx 4.6
Joakim Jämbeck
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Evren Yurtesen IB
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Berk Hess
- [gmx-users] question on RDF
L.Liu at utwente.nl
- [gmx-users] Hamiltonian replica exchange umbrella sampling with gmx 4.6
Michael Shirts
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Szilárd Páll
- [gmx-users] Use dihedraltype 4 to allow several multiplicity terms
Steven Neumann
- [gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...
Evren Yurtesen IB
- [gmx-users] electron desnity
George Patargias
- [gmx-users] Small bug with -pi in g_mindist?
Reid Van Lehn
- [gmx-users] X particles communicated to PME node Y are more ...
Miguel Ángel Mompeán García
- [gmx-users] Small bug with -pi in g_mindist?
David van der Spoel
- [gmx-users] Topology of Graphite Oxide
Justin Lemkul
- [gmx-users] Re: RDF calculation
Justin Lemkul
- [gmx-users] Special bonds with terminal residue
Justin Lemkul
- [gmx-users] question on RDF
Justin Lemkul
- [gmx-users] Use dihedraltype 4 to allow several multiplicity terms
Justin Lemkul
- [gmx-users] electron desnity
Justin Lemkul
- [gmx-users] Use dihedraltype 4 to allow several multiplicity terms
Baptiste Demoulin
- [gmx-users] X particles communicated to PME node Y are more ...
Justin Lemkul
- [gmx-users] Re: electron desnity
Dr. Vitaly Chaban
- [gmx-users] Trouble restarting a 4.5.5 run with 4.6.1 (forced to use -noappend)
Christopher Neale
- [gmx-users] Small bug with -pi in g_mindist?
Jens Kahlen
- [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6
Joakim Jämbeck
- [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6
Michael Shirts
- [gmx-users] g_density fails after calculating for the last snapshot
Rajat Desikan
- [gmx-users] Use dihedraltype 4 to allow several multiplicity terms
Steven Neumann
- [gmx-users] Special bonds with terminal residue
Baptiste Demoulin
- [gmx-users] Water surface tension - wall settings?
Steven Neumann
- [gmx-users] Thread affinity setting failed
Szilárd Páll
- [gmx-users] QMMM installation with Cmake
Esteban Vohringer-Martinez
- [gmx-users] g_density fails after calculating for the last snapshot
Christopher Neale
- [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster
George Patargias
- [gmx-users] query regarding mk_angndx
Kavyashree M
- [gmx-users] dihre_fc option in new 4.6.1 version
Esteban Vohringer-Martinez
- [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?
Christopher Neale
- [gmx-users] Re: RDF for INVACCUO simulation
Keerthana S.P Periasamy
- [gmx-users] Performance of 4.6.1 vs. 4.5.5
Christopher Neale
- [gmx-users] Performance of 4.6.1 vs. 4.5.5
Mark Abraham
- [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?
Mark Abraham
- [gmx-users] Performance of 4.6.1 vs. 4.5.5
Szilárd Páll
- [gmx-users] query regarding mk_angndx
Kavyashree M
- [gmx-users] Re: Calculation of coordination number for lithium ion
Justin Lemkul
- [gmx-users] Re: RDF for INVACCUO simulation
Justin Lemkul
- [gmx-users] error in gromacs 4.0.7-Source code file: domdec.c, line: 5888
Hamid Mosaddeghi
- [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain decomposition.....
Christoph Junghans
- [gmx-users] Re: g_density fails after calculating for the last snapshot
Rajat Desikan
- [gmx-users] message
Alif M Latif
- [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain decomposition.....
Hamid Mosaddeghi
- [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain
Christoph Junghans
- [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)
Hyuntae Na
- [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)
lloyd riggs
- [gmx-users] query regarding mk_angndx
Dallas Warren
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
George Patargias
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
Carsten Kutzner
- [gmx-users] TMD using free energy code
Landraille
- [gmx-users] mdrun WARING and crash
L.Liu at utwente.nl
- [gmx-users] mdrun WARING and crash
Justin Lemkul
- [gmx-users] only 4 zero eigvals for NMA (with 10^-6 emtol for l-bfgs)
Hyuntae Na
- [gmx-users] removing rotational and translational motion (holonomic contraint)
Evelyne Deplazes
- [gmx-users] query for gromacs-4.5.4
Chaitali Chandratre
- [gmx-users] removing rotational and translational motion (holonomic contraint)
Tsjerk Wassenaar
- [gmx-users] query for gromacs-4.5.4
Mark Abraham
- [gmx-users] query for gromacs-4.5.4
Chaitali Chandratre
- [gmx-users] mdrun WARING and crash
L.Liu at utwente.nl
- [gmx-users] setting the gromacs 4.6.1 path
라지브간디
- [gmx-users] query for gromacs-4.5.4
Mark Abraham
- [gmx-users] setting the gromacs 4.6.1 path
Mark Abraham
- [gmx-users] constant velocity pulling/Umbrella sampling
raghav singh
- [gmx-users] No default U-B types
라지브간디
- [gmx-users] Gromacs with Intel Xeon Phi coprocessors ?
Szilárd Páll
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
George Patargias
- [gmx-users] mdrun WARING and crash
L.Liu at utwente.nl
- [gmx-users] Postdoc jobs developing gromacs etc.
David van der Spoel
- [gmx-users] Tutorial for polarized ions simulation
Cuong Nguyen
- [gmx-users] combine two gro files
Nur Syafiqah Abdul Ghani
- [gmx-users] combine two gro files
Dallas Warren
- [gmx-users] Re: combine two gro files
shika
- [gmx-users] trjorder
Nidhi Katyal
- [gmx-users] Error: invalid initializer, though GCC version 2006
nikunj
- [gmx-users] setting the gromacs 4.6.1 path
라지브간디
- [gmx-users] setting the gromacs 4.6.1 path
Mark Abraham
- [gmx-users] Error: invalid initializer, though GCC version 2006
Mark Abraham
- [gmx-users] rmsf analysis
vansh
- [gmx-users] rmsf analysis
Ankita naithani
- [gmx-users] REMD temperature spacing error
Nikunj Maheshwari
- [gmx-users] Re: rmsf analysis
vansh
- [gmx-users] Re: rmsf analysis
Ankita naithani
- [gmx-users] REMD temperature spacing error
Mark Abraham
- [gmx-users] Re: rmsf analysis
vansh
- [gmx-users] REMD temperature spacing error
Nikunj Maheshwari
- [gmx-users] REMD temperature spacing error
Mark Abraham
- [gmx-users] MD in Vacuum
Lara Bunte
- [gmx-users] REMD temperature spacing error
Nikunj Maheshwari
- [gmx-users] No default Proper Dih. types, U-B types and Bond types error???
라지브간디
- [gmx-users] REMD temperature spacing error
Mark Abraham
- [gmx-users] Gromacs-4.6 installation on cygwin problem
neshat haq
- [gmx-users] Gromacs-4.6 installation on cygwin problem
Mark Abraham
- [gmx-users] No default Proper Dih. types, U-B types and Bond types error???
Mark Abraham
- [gmx-users] MD in Vacuum
Justin Lemkul
- [gmx-users] trjorder
Justin Lemkul
- [gmx-users] mdrun WARING and crash
Justin Lemkul
- [gmx-users] constant velocity pulling/Umbrella sampling
Justin Lemkul
- [gmx-users] Gromacs-4.6 installation on cygwin problem
Mirco Wahab
- [gmx-users] Gromacs-4.6 installation on cygwin problem
Mirco Wahab
- [gmx-users] Simualtion blows up with Verlet cutoff scheme
Bu Wang
- [gmx-users] Re: Simualtion blows up with Verlet cutoff scheme
Bu
- [gmx-users] How to include a small organic molecule
Monoj Mon Kalita
- [gmx-users] How to include a small organic molecule
Dallas Warren
- [gmx-users] Fwd: [gmx-developers] Simulated annealing problem
David van der Spoel
- [gmx-users] Simulated annealing problem
Gaurav Jerath
- [gmx-users] MD in Vacuum
Erik Marklund
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Erik Marklund
- [gmx-users] query for gromacs-4.5.4
Chaitali Chandratre
- [gmx-users] Re: Gromacs-4.6 installation on cygwin problem
neshathaq
- [gmx-users] query for gromacs-4.5.4
Mark Abraham
- [gmx-users] template parallelization
subhadipdas
- [gmx-users] Re: TMD using free energy code
Landraille
- [gmx-users] template parallelization
Erik Marklund
- [gmx-users] Re: template parallelization
subhadipdas
- [gmx-users] Re: template parallelization
Erik Marklund
- [gmx-users] Re: template parallelization
subhadipdas
- [gmx-users] bonding energy
fatemeh ramezani
- [gmx-users] bonding energy
Justin Lemkul
- [gmx-users] polymer duplicate atoms
cqgzc
- [gmx-users] polymer duplicate atoms
Dallas Warren
- [gmx-users] Salt bridge analysis tool
albielyons
- [gmx-users] Salt bridge analysis tool
Justin Lemkul
- [gmx-users] High Temperatures in NVT
Abhishek Acharya
- [gmx-users] RE: polymer duplicate atoms
cqgzc
- [gmx-users] Re: polymer duplicate atoms
cqgzc
- [gmx-users] implicit solvation
preetichoudhary at iisermohali.ac.in
- [gmx-users] High Temperatures in NVT
Mark Abraham
- [gmx-users] implicit solvation
Mark Abraham
- [gmx-users] High Temperatures in NVT
Abhishek Acharya
- [gmx-users] High Temperatures in NVT
Mark Abraham
- Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- [gmx-users] Dihedral restraints in 4.6 vs 4.5.X
Per Larsson
- [gmx-users] Error Quick and Dirty installation
Juando11
- [gmx-users] Timesteps don't match
Alexander Peyser
- [gmx-users] Treating electrostatics and van der Waals interactions differently
Jeff Woodford
- [gmx-users] Error Quick and Dirty installation
Mark Abraham
- [gmx-users] Treating electrostatics and van der Waals interactions differently
David van der Spoel
- [gmx-users] Dihedral restraints in 4.6 vs 4.5.X
David van der Spoel
- [gmx-users] Treating electrostatics and van der Waals interactions differently
Mark Abraham
- Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Treating electrostatics and van der Waals interactions differently
Thomas Schlesier
- [gmx-users] Parallelization performance
Sonia Aguilera
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Mark Abraham
- [gmx-users] Timesteps don't match
Mark Abraham
- [gmx-users] replica exchange data in cpt file
francesco oteri
- [gmx-users] Parallelization performance
Mark Abraham
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- [gmx-users] About Check point for restart
vidhya sankar
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] About Check point for restart
Justin Lemkul
- [gmx-users] Could anyone send me some *.tpr input files ( for testing) ?
Daniel Wang
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Re: Problem building Gromacs-4.5.5 on BlueGene/Q
Jeff Hammond
- [gmx-users] replica exchange data in cpt file
Mark Abraham
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] How to parameterize glucose
dreda
- [gmx-users] How to parameterize glucose
Justin Lemkul
- [gmx-users] Re: polymer duplicate atoms
Dallas Warren
- [gmx-users] Re: polymer duplicate atoms
cqgzc
- [gmx-users] Re: polymer duplicate atoms
cqgzc
- [gmx-users] Re: polymer duplicate atoms
Dallas Warren
- [gmx-users] Re: removing rotational and translational motion (holonomic contraint)
deplazes
- [gmx-users] [Fwd: implicit solvation]
preetichoudhary at iisermohali.ac.in
- [gmx-users] covalent binding- Improper Dih
Yongliang Yang
- [gmx-users] covalent binding- Improper Dih
Emanuel Birru
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fwd: Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- [gmx-users] [Fwd: implicit solvation]
Justin Lemkul
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- Fwd: Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- Fwd: Fw: Fwd: [gmx-users] position restraints
Mark Abraham
- Fw: Fwd: [gmx-users] position restraints
Shima Arasteh
- Fw: Fwd: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Dihedral restraints in 4.6 vs 4.5.X
Per Larsson
- [gmx-users] pull code - constraint pulling - forces are zeros
raghav singh
- [gmx-users] topology
shahid nayeem
- [gmx-users] pull code - constraint pulling - forces are zeros
Erik Marklund
- [gmx-users] .top file from .tpr and .xtc
shahid nayeem
- [gmx-users] Problem in adding *.itp for 2 different ligands in topol .top
Parshvika Sharma
- [gmx-users] Constrain boxsize
Kieu Thu Nguyen
- [gmx-users] Desired density - genbox
Steven Neumann
- [gmx-users] topology
Justin Lemkul
- [gmx-users] .top file from .tpr and .xtc
Justin Lemkul
- [gmx-users] Problem in adding *.itp for 2 different ligands in topol .top
Justin Lemkul
- [gmx-users] Constrain boxsize
Justin Lemkul
- [gmx-users] Desired density - genbox
Justin Lemkul
- [gmx-users] Desired density - genbox
Steven Neumann
- [gmx-users] Desired density - genbox
Justin Lemkul
- [gmx-users] Born-Mayer-Huggins type pair potential
Gabriele Lanaro
- [gmx-users] Re: polymer duplicate atoms
cqgzc
- [gmx-users] Constrain boxsize
Kieu Thu Nguyen
- [gmx-users] Re: polymer duplicate atoms
Dallas Warren
- [gmx-users] Constrain boxsize
Justin Lemkul
- [gmx-users] Born-Mayer-Huggins type pair potential
Justin Lemkul
- [gmx-users] topology
shahid nayeem
- [gmx-users] topology
Justin Lemkul
- [gmx-users] .top file from .tpr and .xtc
shahid nayeem
- [gmx-users] Re: Born-Mayer-Huggins type pair potential
Dr. Vitaly Chaban
- [gmx-users] Invitation to connect on LinkedIn
Ramachandran Gnanasekaran via LinkedIn
- [gmx-users] .top file from .tpr and .xtc
francesco oteri
- [gmx-users] cuda gpu status on mdrun
Quentin Delettre
- [gmx-users] simulating only few residues from whole protein]
preetichoudhary at iisermohali.ac.in
- [gmx-users] .top file from .tpr and .xtc
shahid nayeem
- [gmx-users] .top file from .tpr and .xtc
francesco oteri
- [gmx-users] .top file from .tpr and .xtc
shahid nayeem
- [gmx-users] .top file from .tpr and .xtc
francesco oteri
- [gmx-users] Freezing some residues in equillibrium state?
라지브간디
- [gmx-users] Desired density - genbox
Steven Neumann
- [gmx-users] Desired density - genbox
Justin Lemkul
- [gmx-users] Freezing some residues in equillibrium state?
Justin Lemkul
- [gmx-users] simulating only few residues from whole protein]
Justin Lemkul
- [gmx-users] About Detrium order Parameter
vidhya sankar
- [gmx-users] About Detrium order Parameter
Justin Lemkul
- [gmx-users] trjconv centre protein
Ewaru
- [gmx-users] trjconv centre protein
Justin Lemkul
- [gmx-users] Re: trjconv centre protein
Ewaru
- [gmx-users] Re: trjconv centre protein
Justin Lemkul
- [gmx-users] Freezing some residues in equillibrium state?
Erik Marklund
- [gmx-users] Re: trjconv centre protein
Ewaru
- [gmx-users] Energy minimization failure
Jeff Woodford
- [gmx-users] Energy minimization failure
Justin Lemkul
- [gmx-users] Error during grompp run
Kshatresh Dutta Dubey
- [gmx-users] PMF and jacobian correction
Sanku M
- [gmx-users] Top file modification
Shima Arasteh
- [gmx-users] Error during grompp run
Justin Lemkul
- [gmx-users] Top file modification
Justin Lemkul
- [gmx-users] Top file modification
Shima Arasteh
- [gmx-users] Top file modification
Shima Arasteh
- [gmx-users] Top file modification
Justin Lemkul
- [gmx-users] Re: Born-Mayer-Huggins type pair potential
Gabriele Lanaro
- [gmx-users] Function of dihedrals in top file
Shima Arasteh
- [gmx-users] Function of dihedrals in top file
Shima Arasteh
- [gmx-users] Function of dihedrals in top file
Justin Lemkul
- [gmx-users] memory excess error of Tip4p/Ice model
Kenji Mochizuki
- [gmx-users] memory excess error of Tip4p/Ice model
Justin Lemkul
- [gmx-users] Re: polymer duplicate atoms
cqgzc
- [gmx-users] RE: RE: covalent binding- Improper Dih (Emanuel Birru)
Yongliang Yang
- [gmx-users] Re: polymer duplicate atoms
Dallas Warren
- [gmx-users] RE: RE: covalent binding- Improper Dih (Emanuel Birru)
Emanuel Birru
- [gmx-users] Installing GROMACS4.6.1 on Intel MIC
Anirban
- [gmx-users] Re: memory excess error of Tip4p/Ice model
Dr. Vitaly Chaban
- [gmx-users] freeze the particular residues in NPT-NVT
라지브간디
- [gmx-users] Umbrella sampling with large pulling distance (larger than half of the box size)
DeChang Li
- [gmx-users] Umbrella sampling with large pulling distance (larger than half of the box size)
Thomas Schlesier
- [gmx-users] freeze the particular residues in NPT-NVT
Justin Lemkul
- [gmx-users] Error during grompp run
Justin Lemkul
- [gmx-users] Restraining water molecule
neeru sharma
- [gmx-users] freez few residues in protein
라지브간디
- [gmx-users] Mentioning proper and improper torsions
라지브간디
- [gmx-users] Restraining water molecule
Justin Lemkul
- [gmx-users] Mentioning proper and improper torsions
Justin Lemkul
- [gmx-users] Re: freeze the particular residues in NPT-NVT
라지브간디
- [gmx-users] Re: Umbrella sampling with large pulling distance (larger than half of the box size) (Thomas Schlesier)
DeChang Li
- [gmx-users] How to modify the vdw radii of some atom?
fantasticqhl
- [gmx-users] order of atom indices regarding proper dihedrals
Vedat Durmaz
- [gmx-users] Free webinar on Gromacs-4.6 and GPUs together with Nvidia
Erik Lindahl
- [gmx-users] Re: freeze the particular residues in NPT-NVT
Justin Lemkul
- [gmx-users] help with chromophore of a GFP
Anna MARABOTTI
- [gmx-users] How to modify the vdw radii of some atom?
Justin Lemkul
- [gmx-users] help with chromophore of a GFP
Justin Lemkul
- [gmx-users] have trouble to repeat PMF with martini polarizable water model
Yuan Hu
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
swati rana
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
Emanuel Birru
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
swati rana
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
swati rana
- [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)
Emanuel Birru
- [gmx-users] Re: freeze the particular residues in NPT-NVT
라지브간디
- [gmx-users] Re: gmx-users Digest, Vol 107, Issue 81
neeru sharma
- [gmx-users] help with chromophore of a GFP
Anna Marabotti
- [gmx-users] Reg: Validation of Protein-Protein Interaction through simulation
Amit
- [gmx-users] a plot technique question
Albert
- [gmx-users] a plot technique question
Mark Abraham
- [gmx-users] Top file modification
Shima Arasteh
- [gmx-users] help with chromophore of a GFP
Mark Abraham
- [gmx-users] Restraining water molecule
Justin Lemkul
- [gmx-users] Re: freeze the particular residues in NPT-NVT
Justin Lemkul
- [gmx-users] Reg: Validation of Protein-Protein Interaction through simulation
Justin Lemkul
- [gmx-users] Top file modification
Justin Lemkul
- [gmx-users] Re: Reg: Validation of Protein-Protein Interaction through simulation
Amit
- [gmx-users] Re: Reg: Validation of Protein-Protein Interaction through simulation
Justin Lemkul
- [gmx-users] Restraining water molecule
neeru sharma
- [gmx-users] Restraining water molecule
Justin Lemkul
- [gmx-users] T-Coupling groups in NVT
Shima Arasteh
- [gmx-users] T-Coupling groups in NVT
Justin Lemkul
- [gmx-users] T-Coupling groups in NVT
Gunther Lukat
- [gmx-users] T-Coupling groups in NVT
Shima Arasteh
- [gmx-users] g_tune_pme can't be executed
Daniel Wang
- [gmx-users] g_tune_pme can't be executed
Carsten Kutzner
- [gmx-users] g_tune_pme can't be executed
Daniel Wang
- [gmx-users] help with chromophore of a GFP
Anna MARABOTTI
- [gmx-users] help with chromophore of a GFP
Justin Lemkul
- [gmx-users] atom numbers in top file
Shima Arasteh
- [gmx-users] GROMACS Constraints
256B
- [gmx-users] atom numbers in top file
Justin Lemkul
- [gmx-users] GROMACS Constraints
Justin Lemkul
- [gmx-users] help with chromophore of a GFP
Mark Abraham
- [gmx-users] Installing GROMACS4.6.1 on Intel MIC
Mark Abraham
- [gmx-users] help with chromophore of a GFP
Justin Lemkul
- [gmx-users] Installing GROMACS4.6.1 on Intel MIC
Szilárd Páll
- [gmx-users] help with chromophore of a GFP
lloyd riggs
- [gmx-users] cuda gpu status on mdrun
Szilárd Páll
- [gmx-users] interaction with metal
Nur Syafiqah Abdul Ghani
- [gmx-users] interaction with metal
Justin Lemkul
- [gmx-users] proper and improper dihedrals in topology file from other ff
라지브간디
- [gmx-users] proper and improper dihedrals in topology file from other ff
Justin Lemkul
- [gmx-users] construct the long polymer chain
cqgzc
- [gmx-users] construct the long polymer chain
Justin Lemkul
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
Szilárd Páll
- [gmx-users] construct the long polymer chain
Dallas Warren
- [gmx-users] Error in REMD
Nikunj Maheshwari
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
George Patargias
- [gmx-users] how can we obtain replicated trajectory?
Albert
- [gmx-users] proper and improper dihedrals in topology file from other ff
라지브간디
- [gmx-users] Re: Re: help with chromophore of a GFP
Anna MARABOTTI
- [gmx-users] Re: Re: help with chromophore of a GFP
Mark Abraham
- [gmx-users] Error in REMD
Mark Abraham
- [gmx-users] how can we obtain replicated trajectory?
Mark Abraham
- [gmx-users] how can we obtain replicated trajectory?
Albert
- [gmx-users] Hydrogen bonding differences
Kavyashree M
- [gmx-users] Hydrogen bonding differences
Erik Marklund
- [gmx-users] proper and improper dihedrals in topology file from other ff
Justin Lemkul
- [gmx-users] Hydrogen bonding differences
Kavyashree M
- [gmx-users] how can we obtain replicated trajectory?
Mark Abraham
- [gmx-users] Hydrogen bonding differences
Erik Marklund
- [gmx-users] Mismatching number of PP MPI processes and GPUs per node
Szilárd Páll
- [gmx-users] Proper and improper from other ff?
라지브간디
- [gmx-users] Proper and improper from other ff?
Justin Lemkul
- [gmx-users] Hydrogen bonding differences
Kavyashree M
- [gmx-users] define statement in mdp file
Shima Arasteh
- [gmx-users] dna-simualtions with gromacs
amna khan
- [gmx-users] define statement in mdp file
Justin Lemkul
- [gmx-users] dna-simualtions with gromacs
Justin Lemkul
- [gmx-users] define statement in mdp file
Shima Arasteh
- [gmx-users] Proper and improper from other ff
라지브간디
- [gmx-users] define statement in mdp file
Justin Lemkul
- [gmx-users] Proper and improper from other ff
Justin Lemkul
- [gmx-users] define statement in mdp file
Mark Abraham
- [gmx-users] Format of .trr file
sudipta sinha
- [gmx-users] Format of .trr file
Matthew Zwier
- [gmx-users] A problem of adding new bond parameters
spin
- [gmx-users] How to specify water molecules number added to box?
caizk at mail.ustc.edu.cn
- [gmx-users] How to specify water molecules number added to box?
David van der Spoel
- [gmx-users] A problem of adding new bond parameters
Mark Abraham
- [gmx-users] How to specify water molecules number added to box?
Emanuel Birru
- [gmx-users] helitrope at 126.com
xiao
- [gmx-users] how to convert Coarse Grained protein structure to all-atom structure
xiao
- [gmx-users] gro does not match top
Shima Arasteh
- [gmx-users] Re: gro does not match top
Shima Arasteh
- [gmx-users] Re: gro does not match top
Justin Lemkul
- [gmx-users] Format of .trr file
sudipta
- [gmx-users] Format of .trr file
Mark Abraham
- [gmx-users] Re: gro does not match top
Mark Abraham
- [gmx-users] Re: gro does not match top
Shima Arasteh
- [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run
sudipta
- [gmx-users] Format of .trr file
sudipta
- [gmx-users] Format of .trr file
Mark Abraham
- [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run
Mark Abraham
- [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run
Sudipta Kumar Sinha
- [gmx-users] Is there any fundamental difference between the output of serial, gpu and parallel gromacs run
Sudipta Kumar Sinha
- [gmx-users] errors when using g_membed tool
Kieu Thu Nguyen
- [gmx-users] (no subject)
Yongliang Yang
- [gmx-users] (no subject)
Emanuel Birru
- [gmx-users] problem in converting coarse grained structure to fine strcture
xiao
- [gmx-users] (no subject)
Justin Lemkul
- [gmx-users] (no subject)
Emanuel Birru
- [gmx-users] Re: Re: help with chromophore of a GFP
Anna MARABOTTI
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Re: Re: help with chromophore of a GFP
Mark Abraham
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] Re: problem in converting coarse grained structure to fine strcture
kpsanto
- Aw: [gmx-users] Re: Re: help with chromophore of a GFP
lloyd riggs
- [gmx-users] Dihedral restraints
santhosh
- [gmx-users] scaling factor for rna/dna
Vishwambhar Bhandare
- [gmx-users] G54a7 compatibility with G53a6?
Rajat Desikan
- [gmx-users] Atoms are fused after inserting in membrane
Shine Devaraj
- [gmx-users] problem in converting coarse grained structure to fine strcture
Djurre de Jong-Bruinink
- [gmx-users] scaling factor for rna/dna
Erik Marklund
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Atoms are fused after inserting in membrane
Justin Lemkul
- [gmx-users] position restraints
Shima Arasteh
- [gmx-users] About Deutrium Order Parameter
vidhya sankar
- [gmx-users] position restraints
Justin Lemkul
- [gmx-users] About Deutrium Order Parameter
Justin Lemkul
- Fw: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] problem in converting coarse grained structure to fine strcture
xiao
- Fw: [gmx-users] position restraints
Shima Arasteh
- Fw: [gmx-users] position restraints
Justin Lemkul
- Fw: [gmx-users] position restraints
Shima Arasteh
- Fw: [gmx-users] position restraints
Justin Lemkul
- [gmx-users] Hydrophobic contact cut-off
Kavyashree M
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Christopher Neale
- [gmx-users] Hydrophobic contact cut-off
Christopher Neale
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Matthew Zwier
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Christopher Neale
- [gmx-users] (no subject)
Sathish Kumar
- [gmx-users] Nose-hoover chains thermostat
James Starlight
- [gmx-users] Simulation membrane proteins in amber99 force field.
James Starlight
- [gmx-users] calculating LJ
라지브간디
- [gmx-users] g_cluster stopped - malloc failed
Zalikha Ibrahim
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Qinghua Liao
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Justin Lemkul
- [gmx-users] calculating LJ
Justin Lemkul
- [gmx-users] g_cluster stopped - malloc failed
Justin Lemkul
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Justin Lemkul
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Berk Hess
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Qinghua Liao
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Ahmet yıldırım
- [gmx-users] Implicit solvent MD is not fast and not accurate.
xiao
- [gmx-users] Implicit solvent MD is not fast and not accurate.
Justin Lemkul
- [gmx-users] LJ values conversion
라지브간디
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Qinghua Liao
- [gmx-users] LJ values conversion
Justin Lemkul
- [gmx-users] Implicit solvent MD is not fast and not accurate.
xiao
- [gmx-users] compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Mark Abraham
- [gmx-users] Implicit solvent MD is not fast and not accurate.
Justin Lemkul
- [gmx-users] Implicit solvent MD is not fast and not accurate.
xiao
- [gmx-users] Re: compilation of gromacs-4.5.4 with fftw-3.3 for double precision versition
Christoph Junghans
- [gmx-users] SMD : pulling both primes of DNA
raghav singh
- [gmx-users] diffusion constant level off
Ahmet yıldırım
- [gmx-users] Simulating interfaces and load imbalance
Gabriele Lanaro
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] Simulation membrane proteins in amber99 force field.
Christopher Neale
- [gmx-users] no CUDA-capable device is detected
Chandan Choudhury
- [gmx-users] Re: Atoms are fused after inserting in membrane
sdshine
- [gmx-users] How to simulate pure methane system?
Liu Chanjuan
- [gmx-users] retraining multiple protein ligand interactions using pull-code
Saravanan
- [gmx-users] no CUDA-capable device is detected
George Patargias
- [gmx-users] no CUDA-capable device is detected
Berk Hess
- [gmx-users] bond conversion between charmm and g96
라지브간디
- [gmx-users] no CUDA-capable device is detected
Chandan Choudhury
- [gmx-users] no CUDA-capable device is detected
Berk Hess
- [gmx-users] Re: diffusion constant level off
Ahmet yıldırım
- [gmx-users] Re: diffusion constant level off
David van der Spoel
- [gmx-users] Re: Atoms are fused after inserting in membrane
Dr. Vitaly Chaban
- [gmx-users] no CUDA-capable device is detected
Szilárd Páll
- [gmx-users] SMD : pulling both primes of DNA
Thomas Schlesier
- [gmx-users] no CUDA-capable device is detected
Chandan Choudhury
- [gmx-users] Re: diffusion constant level off
Ahmet yıldırım
- [gmx-users] no CUDA-capable device is detected
Chandan Choudhury
- [gmx-users] Re: Atoms are fused after inserting in membrane
Justin Lemkul
- [gmx-users] Re: Atoms are fused after inserting in membrane
Justin Lemkul
- [gmx-users] bond conversion between charmm and g96
Justin Lemkul
- [gmx-users] retraining multiple protein ligand interactions using pull-code
Justin Lemkul
- [gmx-users] TOP file question
Justin Lemkul
- [gmx-users] Re: diffusion constant level off
Dr. Vitaly Chaban
- [gmx-users] retraining multiple protein ligand interactions using pull-code
Saravanan
- [gmx-users] retraining multiple protein ligand interactions using pull-code
Justin Lemkul
- [gmx-users] Re: diffusion constant level off
Ahmet yıldırım
- [gmx-users] Re: diffusion constant level off
Dr. Vitaly Chaban
- [gmx-users] Re: diffusion constant level off
Justin Lemkul
- [gmx-users] invalid pairstype 180
Monoj Mon Kalita
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] Virtual sites setting
라지브간디
- [gmx-users] Freezing group
Алексей Раевский
- [gmx-users] Re: diffusion constant level off
Ahmet yıldırım
- [gmx-users] no CUDA-capable device is detected
Szilárd Páll
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] RE: diffusion constant level off
Dr. Vitaly Chaban
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] Virtual sites setting
Broadbent, Richard
- [gmx-users] TOP file question
Justin Lemkul
- [gmx-users] TOP file question
Justin Lemkul
- [gmx-users] Re: diffusion constant level off
Justin Lemkul
- [gmx-users] RE: diffusion constant level off
Justin Lemkul
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Christopher Neale
- [gmx-users] Freezing group
Justin Lemkul
- [gmx-users] virtusal site setting
라지브간디
- [gmx-users] correct usage of freezing group
alex rayevsky
- [gmx-users] RE: diffusion constant level off
Ahmet yıldırım
- [gmx-users] combine mutiple PBDs
Zalikha Ibrahim
- [gmx-users] RE: diffusion constant level off
Dr. Vitaly Chaban
- [gmx-users] combine mutiple PBDs
Justin Lemkul
- [gmx-users] Re: combine mutiple PBDs
zalikha_ibrahim
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Berk Hess
- [gmx-users] Re: combine mutiple PBDs
Justin Lemkul
- [gmx-users] renumbering residue numbers for version 4.0.2
Nash, Anthony
- [gmx-users] renumbering residue numbers for version 4.0.2
Mark Abraham
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Mark Abraham
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] TOP file question
Justin Lemkul
- [gmx-users] renumbering residue numbers for version 4.0.2
Nash, Anthony
- [gmx-users] TOP file question
Peter Eastman
- [gmx-users] surface tension-density profile
Elisabeth
- [gmx-users] renumbering residue numbers for version 4.0.2
Mark Abraham
- [gmx-users] renumbering residue numbers for version 4.0.2
Nash, Anthony
- [gmx-users] virtusal site setting
Broadbent, Richard
- [gmx-users] chiller failure leads to truncated .cpt and _prev.cpt files using gromacs 4.6.1
Christopher Neale
- [gmx-users] g_rdf
mohammad agha
- [gmx-users] About the configuration of Gromacs on multiple nodes with GPU
崔学文
- [gmx-users] About the configuration of Gromacs on multiple nodes with GPU
Szilárd Páll
- [gmx-users] how to install the gromacs 4.6.1 using the intel icc and ifor
aixintiankong
- [gmx-users] how to install the gromacs 4.6.1 using the intel icc and ifor
Justin Lemkul
- [gmx-users] semi isotropic settings
Elisabeth
- [gmx-users] semi isotropic settings
Justin Lemkul
- [gmx-users] semi isotropic settings
Elisabeth
- [gmx-users] semi isotropic settings
Justin Lemkul
- [gmx-users] Free energy landscape by g_sham
Kavyashree M
- [gmx-users] Free energy landscape by g_sham
bipin singh
- [gmx-users] Free energy landscape by g_sham
Kavyashree M
- [gmx-users] Making composite box in gromacs
Abhinav Agrawal
- [gmx-users] Free energy landscape by g_sham
David van der Spoel
- [gmx-users] Making composite box in gromacs
Justin Lemkul
- [gmx-users] Inactivate position restraint
Shima Arasteh
- [gmx-users] Inactivate position restraint
Justin Lemkul
- [gmx-users] density profile
Elisabeth
- [gmx-users] density profile
Justin Lemkul
- [gmx-users] Structure file for di atmoic molecule
Juliette N.
- [gmx-users] Structure file for di atmoic molecule
Justin Lemkul
- [gmx-users] density profile
Elisabeth
- [gmx-users] density profile
Justin Lemkul
- [gmx-users] density profile
Elisabeth
- [gmx-users] density profile
Justin Lemkul
- [gmx-users] Re: density profile
Dr. Vitaly Chaban
- [gmx-users] Re: gmx-users Digest, Vol 107, Issue 133
Abhinav Agrawal
- [gmx-users] Making composite box in gromacs
Justin Lemkul
- [gmx-users] Re: density profile
Elisabeth
- [gmx-users] Re: density profile
Dr. Vitaly Chaban
- [gmx-users] Handy insertion of multiatomic particles
Dr. Vitaly Chaban
- [gmx-users] Handy insertion of multiatomic particles
Justin Lemkul
- [gmx-users] Handy insertion of multiatomic particles
Dr. Vitaly Chaban
- [gmx-users] Handy insertion of multiatomic particles
Justin Lemkul
Last message date:
Sun Mar 31 23:37:08 CEST 2013
Archived on: Thu Nov 14 12:14:02 CET 2013
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