December 2010 Archives by subject
Starting: Wed Dec 1 00:06:14 CET 2010
Ending: Fri Dec 31 15:28:15 CET 2010
Messages: 891
- [gmx-users] "Atomtype OW not found"
shikha agarwal
- [gmx-users] "Atomtype OW not found"
Justin A. Lemkul
- [gmx-users] "Atomtype OW not found"
Justin A. Lemkul
- [gmx-users] "freezegrps" concept
YUVRAJ UBOVEJA
- [gmx-users] "freezegrps" concept
Justin A. Lemkul
- [gmx-users] "freezegrps" concept
Sarath Chandra Dantu
- [gmx-users] Re: "moleculetype DRG is redefined"
Justin A. Lemkul
- [gmx-users] RE: "moleculetype DRG is redefined"
Vitaly Chaban
- [gmx-users] (no subject)
Katerina Hynstova
- [gmx-users] -sel option for g_hbond
Olga Ivchenko
- [gmx-users] -sel option for g_hbond
Justin A. Lemkul
- [gmx-users] -symm option
Amit Choubey
- [gmx-users] -symm option
Morteza Khabiri
- [gmx-users] -ve value of z in g_wham
Nilesh Dhumal
- [gmx-users] -ve value of z in g_wham
Justin A. Lemkul
- [gmx-users] -ve value of z in g_wham
Nilesh Dhumal
- [gmx-users] -ve value of z in g_wham
Justin A. Lemkul
- [gmx-users] -ve value of z in g_wham
Nilesh Dhumal
- [gmx-users] -ve value of z in g_wham
Justin A. Lemkul
- [gmx-users] -ve value of z in g_wham
Justin A. Lemkul
- [gmx-users] .pqr to .pdb
mohsen ramezanpour
- [gmx-users] .pqr to .pdb
Justin A. Lemkul
- [gmx-users] .pqr to .pdb
Maximiliano Figueroa
- [gmx-users] .pqr to .pdb
mohsen ramezanpour
- [gmx-users] .pqr to .pdb
mohsen ramezanpour
- [gmx-users] .psf and .dcd files
atila petrosian
- [gmx-users] .psf and .dcd files
Ran Friedman
- [gmx-users] .psf and .dcd files
atila petrosian
- [gmx-users] .psf and .dcd files
Ran Friedman
- [gmx-users] 25th Molecular Modelling Workshop 2011 Announcement
Tatyana Shubina
- [gmx-users] Re: Re:6. QMMM, Segmentation fault (Olga Ivchenko) (Olga Ivchenko)
Gerrit Groenhof
- [gmx-users] Re:6. QMMM, Segmentation fault (Olga Ivchenko)
Gerrit Groenhof
- [gmx-users] Re:6. QMMM, Segmentation fault (Olga Ivchenko)
Olga Ivchenko
- [gmx-users] : MOPAC gromacs mdreun error (vidhya sankar)
vidhya sankar
- [gmx-users] [Fwd: g_sas for each residu]
Stephane Abel
- [gmx-users] [Fwd: g_sas for each residu]
Justin A. Lemkul
- [gmx-users] [Fwd: g_sas for each residu]
Mark Abraham
- [gmx-users] [Fwd: g_sas for each residu]
Austin B. Yongye
- [gmx-users] [OT] Generate random coil protein conformations?
ms
- [gmx-users] [OT] Generate random coil protein conformations?
Mark Abraham
- [gmx-users] [OT] Generate random coil protein conformations?
ms
- [gmx-users] add a new force field to the pdb2gmx list
Jia Haitao
- [gmx-users] add a new force field to the pdb2gmx list
Yang Ye
- [gmx-users] add a new force field to the pdb2gmx list
Mark Abraham
- [gmx-users] add a new force field to the pdb2gmx list
Mark Abraham
- [gmx-users] add a new force field to the pdb2gmx list
Jia Haitao
- [gmx-users] add a new force field to the pdb2gmx list
Mark Abraham
- [gmx-users] add a new force field to the pdb2gmx list
Jia Haitao
- [gmx-users] Add gromacs forcefield w/ virtual site
Marcelo Silva
- [gmx-users] Add gromacs forcefield w/ virtual site
chris.neale at utoronto.ca
- [gmx-users] Add gromacs forcefield w/ virtual site
Marcelo Silva
- [gmx-users] Add gromacs forcefield w/ virtual site
chris.neale at utoronto.ca
- [gmx-users] Add gromacs forcefield w/ virtual site
Mark Abraham
- [gmx-users] adding Na and cl ions to pdb structure
mohsen ramezanpour
- [gmx-users] adding Na and cl ions to pdb structure
Justin A. Lemkul
- [gmx-users] adding Na and cl ions to pdb structure
TJ Mustard
- [gmx-users] adequate program for simulation of BCN graphen ?
mina Madah
- [gmx-users] adequate program for simulation of BCN graphen ?
Justin A. Lemkul
- [gmx-users] air-water interface
铁锋 彭
- [gmx-users] air-water interface
Mark Abraham
- [gmx-users] Re: air-water interface
Vitaly Chaban
- [gmx-users] Allitle stumped about FEP, and my setup for calculating energies...
TJ Mustard
- [gmx-users] Allocation memory failure with g_msd (version 4.5.X)
Javier Cerezo
- [gmx-users] amb2gmx.pl file
gromacs564
- [gmx-users] amb2gmx.pl file
Oliver Grant
- [gmx-users] amber convert gromacs input files
gromacs564
- [gmx-users] amber convert gromacs input files
Mark Abraham
- [gmx-users] amber convert gromacs input files
Alan Wilter Sousa da Silva
- [gmx-users] amber convert gromacs input files
Oliver Grant
- [gmx-users] amber convert gromacs input files
Alan Wilter Sousa da Silva
- [gmx-users] anaeig
pawan raghav
- Antw: [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group"
Emanuel Peter
- Antw: [gmx-users] NaN error using mdrun-gpu
Emanuel Peter
- Antw: [gmx-users] NaN error using mdrun-gpu
Bongkeun Kim
- Antw: [gmx-users] NaN error using mdrun-gpu
Justin A. Lemkul
- Antw: [gmx-users] NaN error using mdrun-gpu
Szilárd Páll
- Antw: [gmx-users] NaN error using mdrun-gpu
Bongkeun Kim
- Antw: [gmx-users] NaN error using mdrun-gpu
Szilárd Páll
- Antw: Re: Antw: [gmx-users] NaN error using mdrun-gpu
Emanuel Peter
- [gmx-users] Appropriate (desktop) hardware for Gromacs
Tom Dupree
- [gmx-users] Appropriate (desktop) hardware for Gromacs
Mark Abraham
- [gmx-users] atom type errer
mohsen ramezanpour
- [gmx-users] atom type errer
Justin A. Lemkul
- [gmx-users] average pressure too high
sreelakshmi ramesh
- [gmx-users] average pressure too high
Roland Schulz
- [gmx-users] Re: average pressure too high
Vitaly Chaban
- [gmx-users] Binary lennard jones
leila separdar
- [gmx-users] Binary lennard jones
Mark Abraham
- [gmx-users] Binary lennard jones
leila separdar
- [gmx-users] Binary lennard jones
Mark Abraham
- [gmx-users] box length in z dimension keep increasing when using two walls in NPT ensemble
Jianguo Li
- [gmx-users] box size & continuing the previous energy minimization
mustafa bilsel
- [gmx-users] box size & continuing the previous energy minimization
Amit Choubey
- [gmx-users] box size & continuing the previous energy minimization
Terry
- [gmx-users] Brownian Dynamics Simulations generating huge log files
Justin A. Lemkul
- [gmx-users] Brownian Dynamics Simulations generating huge log files
Nimesh Jain
- [gmx-users] Brownian Dynamics Simulations generating huge log files
Justin A. Lemkul
- [gmx-users] Brownian Dynamics Simulations generating huge log files
Justin A. Lemkul
- [gmx-users] Brownian Dynamics Simulations generating huge log files
Nimesh Jain
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
Justin A. Lemkul
- [gmx-users] buckingham potentials
sreelakshmi ramesh
- [gmx-users] buckingham potentials
delara aghaie
- [gmx-users] C6 attractive term off OPLSAA
nishap.patel at utoronto.ca
- [gmx-users] C6 attractive term off OPLSAA
Justin A. Lemkul
- [gmx-users] C6 attractive term off OPLSAA
nishap.patel at utoronto.ca
- [gmx-users] C6 attractive term off OPLSAA
Berk Hess
- [gmx-users] C6 attractive term off OPLSAA
nishap.patel at utoronto.ca
- [gmx-users] RE:C6 attractive term off OPLSAA
nishap.patel at utoronto.ca
- [gmx-users] RE:C6 attractive term off OPLSAA
Mark Abraham
- [gmx-users] Calculate ion disasociation constant
גדעון לפידות
- [gmx-users] Calculate ion disasociation constant
Mark Abraham
- [gmx-users] Can the g_order calculate order parameters for two polymer backbone atoms?
英雄不再寂寞
- [gmx-users] Can't build gromacs-4.5.3 with cmake
Keith Callenberg
- [gmx-users] Can't build gromacs-4.5.3 with cmake
Roland Schulz
- [gmx-users] Can't build gromacs-4.5.3 with cmake
Keith Callenberg
- [gmx-users] Can't build gromacs-4.5.3 with cmake
Justin A. Lemkul
- [gmx-users] Can't build gromacs-4.5.3 with cmake
Keith Callenberg
- [gmx-users] center the protein to the origin
Asmaa Elsheshiny
- [gmx-users] center the protein to the origin
Justin A. Lemkul
- [gmx-users] Change in structure after solvation_Gromacs
swagata chakraborty
- [gmx-users] Change in structure after solvation_Gromacs
ms
- [gmx-users] Change in structure after solvation_Gromacs
Justin A. Lemkul
- [gmx-users] Change in structure after solvation_Gromacs
ms
- [gmx-users] Change in structure after solvation_Gromacs
swagata chakraborty
- [gmx-users] Change in structure after solvation_Gromacs
Justin A. Lemkul
- [gmx-users] changing the velocity in trajectory file
sreelakshmi ramesh
- [gmx-users] cmake --> relocation R_X86_64_32S against `a local symbol' can not be used when making a shared object;
chris.neale at utoronto.ca
- [gmx-users] cmake --> relocation R_X86_64_32S against `a local symbol' can not be used when making a shared object;
Roland Schulz
- [gmx-users] cmake --> relocation R_X86_64_32S against `a local symbol' can not be used when making a shared object; recompile with -fPIC
Roland Schulz
- [gmx-users] cmake --> relocation R_X86_64_32S against `a local symbol' can not be used when making a shared object; recompile with -fPIC
Chris Neale
- [gmx-users] CMAP error
Jon Mujika
- [gmx-users] CMAP error
Justin A. Lemkul
- [gmx-users] CMAP error
Amit Choubey
- [gmx-users] CMAP error
Thomas Piggot
- [gmx-users] CMAP error
Jon Mujika
- [gmx-users] CMAP error
Justin A. Lemkul
- [gmx-users] Re: CMAP error
Pär Bjelkmar
- [gmx-users] coarse grainig with Martini ff???
Faezeh Kargar
- [gmx-users] coarse grainig with Martini ff???
Justin A. Lemkul
- [gmx-users] coarse grainig with Martini ff???
Faezeh Kargar
- [gmx-users] coarse grainig with Martini ff???
Justin A. Lemkul
- [gmx-users] Coarse-grained simulation with MARTINI
samio
- [gmx-users] Coarse-grained simulation with MARTINI
XAvier Periole
- [gmx-users] COM
mohsen ramezanpour
- [gmx-users] COM
Justin A. Lemkul
- [gmx-users] Re: Com Pulling
lloyd riggs
- [gmx-users] Com Pulling
chris.neale at utoronto.ca
- [gmx-users] Re: RE:Com Pulling
lloyd riggs
- [gmx-users] Com Pulling
chris.neale at utoronto.ca
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
chris.neale at utoronto.ca
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
Roland Schulz
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
chris.neale at utoronto.ca
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
Justin A. Lemkul
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
Rossen Apostolov
- [gmx-users] compilation instructions, the gromacs wiki, documentation, and test suites
chris.neale at utoronto.ca
- [gmx-users] Constraining two virtual sites
Sebastian Fritsch
- [gmx-users] Constraining two virtual sites
Mark Abraham
- [gmx-users] Constraining two virtual sites
Berk Hess
- [gmx-users] Constraining two virtual sites
Sebastian Fritsch
- [gmx-users] conversion of gromacs files to amber files
leila karami
- [gmx-users] conversion of gromacs files to amber files
Oliver Grant
- [gmx-users] conversion of gromacs files to amber files
leila karami
- [gmx-users] conversion of gromacs files to amber files
Shozeb Haider
- [gmx-users] conversion of gromacs files to amber files
Oliver Grant
- [gmx-users] conversion of gromacs files to amber files
leila karami
- [gmx-users] conversion of gromacs files to amber files
Francesco Oteri
- [gmx-users] conversion of gromacs files to amber files
Oliver Grant
- [gmx-users] Re: correlation function
David van der Spoel
- [gmx-users] Re:Crash error
lloyd riggs
- [gmx-users] Re:Crash error
Justin A. Lemkul
- [gmx-users] Re:RE:Crash error
lloyd riggs
- [gmx-users] Crashed run
shiva birgani
- [gmx-users] Crashed run
Shi Wenxiong (Dr)
- [gmx-users] Crashed run
Mark Abraham
- [gmx-users] crashed run
shiva birgani
- [gmx-users] crashed run
Justin A. Lemkul
- [gmx-users] creat .gro; select force field
gromacs
- [gmx-users] creat .gro; select force field
Justin A. Lemkul
- [gmx-users] cumulative numbers or running coordination numbers ?
Vitaly Chaban
- [gmx-users] Cut-offs using CHARMM27 ff
Hassan Shallal
- [gmx-users] Cut-offs using CHARMM27 ff
Roland Schulz
- [gmx-users] deciphering the output of g_helixorient ?
maria goranovic
- [gmx-users] Desktop Freezes While Using mdrun-gpu
Solomon Berman
- [gmx-users] Desktop Freezes While Using mdrun-gpu
Szilárd Páll
- [gmx-users] different output generated by continue and discontinue > simulation
Hsin-Lin Chiang
- [gmx-users] different output generated by continue and discontinue > simulation
Justin A. Lemkul
- [gmx-users] different output generated by continue and discontinue simulation
Hsin-Lin Chiang
- [gmx-users] different output generated by continue and discontinue simulation
Mark Abraham
- [gmx-users] different output generated by continue and discontinue simulation
Hsin-Lin Chiang
- [gmx-users] different output generated by continue and discontinue simulation
Hsin-Lin Chiang
- [gmx-users] Re: Re: Discrepancy between -chargegrp and -nochargegrp in simulations with CHARMM ff, Why ?
sa
- [gmx-users] dna, lipid simulation
Amit Choubey
- [gmx-users] dna, lipid simulation
Itamar Kass (Med)
- [gmx-users] dna, lipid simulation
Justin A. Lemkul
- [gmx-users] dna, lipid simulation
Thomas Piggot
- [gmx-users] dna, lipid simulation
Amit Choubey
- [gmx-users] dssp
mustafa bilsel
- [gmx-users] dssp
Justin A. Lemkul
- [gmx-users] dssp problem
mustafa bilsel
- [gmx-users] dssp problem
Terry
- [gmx-users] dssp problem
mustafa bilsel
- [gmx-users] dssp problem
Mark Abraham
- [gmx-users] dssp problem
lina zhao
- [gmx-users] Energy due to Hydrogen bonds
Anirban Ghosh
- [gmx-users] Energy due to Hydrogen bonds
Justin A. Lemkul
- [gmx-users] Re:Energy dur to Hydrogen Bonds
lloyd riggs
- [gmx-users] Re:Energy dur to Hydrogen Bonds
Justin A. Lemkul
- [gmx-users] Energy minimisation query
nikhil damle
- [gmx-users] Energy minimisation query
Justin A. Lemkul
- [gmx-users] Energy minimization query
nikhil damle
- [gmx-users] Energy minimization query
TJ Mustard
- [gmx-users] Energy-groups?
nishap.patel at utoronto.ca
- [gmx-users] Energy-groups?
Justin A. Lemkul
- [gmx-users] Energy-groups?
nishap.patel at utoronto.ca
- [gmx-users] Energy-groups?
Justin A. Lemkul
- [gmx-users] Energy-groups?
nishap.patel at utoronto.ca
- [gmx-users] Entropy by total atoms
nahren manuel
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
udaya kiran
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
Justin A. Lemkul
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
sharada
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
udaya kiran
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
Sarath Chandra
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
udaya kiran
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
Sarath Chandra
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
T.M.D. Graen
- [gmx-users] ERROR: Source code file: statutil.c, line: 727
sharada
- [gmx-users] extending simulations made with version 3.3.3
Anna Marabotti
- [gmx-users] extending simulations made with version 3.3.3
Mark Abraham
- [gmx-users] Extreme
pawan raghav
- [gmx-users] Extreme
Justin A. Lemkul
- [gmx-users] Extreme
pawan raghav
- [gmx-users] Extreme
Tsjerk Wassenaar
- [gmx-users] fac value for distance or h-bonding restraints
udaya kiran
- [gmx-users] fac value for distance or h-bonding restraints
Justin A. Lemkul
- [gmx-users] Fatal error (g_polystat)
Chandan Choudhury
- [gmx-users] Fatal error (g_polystat)
Mark Abraham
- [gmx-users] Fatal error (g_polystat)
Chandan Choudhury
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Mark Abraham
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Justin A. Lemkul
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Justin A. Lemkul
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Justin A. Lemkul
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Justin A. Lemkul
- [gmx-users] Fatal error:Chain identifier
ahmet yıldırım
- [gmx-users] Fatal error:Chain identifier
Mark Abraham
- [gmx-users] force field for simulation of BCN
mina Madah
- [gmx-users] force field for simulation of BCN
Mark Abraham
- [gmx-users] Forces in source code
Петр Попов
- [gmx-users] Forces in source code
David van der Spoel
- [gmx-users] Forces in source code
Петр Попов
- [gmx-users] Forces in source code
Mark Abraham
- [gmx-users] Forces in source code
Петр Попов
- [gmx-users] Forces in source code
Berk Hess
- [gmx-users] Free energy
mohsen ramezanpour
- [gmx-users] Free energy
Justin A. Lemkul
- [gmx-users] Free energy
chris.neale at utoronto.ca
- [gmx-users] Free energy
Floris Buelens
- [gmx-users] free energy calculation problem
Jin Wen
- [gmx-users] free energy of methan disappearing:tutorial
mohsen ramezanpour
- [gmx-users] free energy of methan disappearing:tutorial
TJ Mustard
- [gmx-users] free energy of methan disappearing:tutorial
mohsen ramezanpour
- [gmx-users] Fwd: g-dist
mohsen ramezanpour
- [gmx-users] Fwd: Help regarding Membrane simulation
Mark Abraham
- [gmx-users] Fwd: lateral diffusion coefficients on a spherical surface
Thomas Piggot
- [gmx-users] Fwd: pulling
mohsen ramezanpour
- [gmx-users] Fwd: pulling
chris.neale at utoronto.ca
- [gmx-users] g-dist
mohsen ramezanpour
- [gmx-users] g-dist
Justin A. Lemkul
- [gmx-users] g-dist
mohsen ramezanpour
- [gmx-users] g-dist
Justin A. Lemkul
- [gmx-users] g-dist
mohsen ramezanpour
- [gmx-users] g-dist
Justin A. Lemkul
- [gmx-users] g-dist
mohsen ramezanpour
- [gmx-users] g-dist
Justin A. Lemkul
- [gmx-users] g-dist
mohsen ramezanpour
- [gmx-users] g-dist
Tsjerk Wassenaar
- [gmx-users] g-WHAM
mohsen ramezanpour
- [gmx-users] g-WHAM
Carsten Kutzner
- [gmx-users] g_anaeig
pawan raghav
- [gmx-users] g_anaeig
Justin A. Lemkul
- [gmx-users] g_anaeig
pawan raghav
- [gmx-users] g_anaeig
Tsjerk Wassenaar
- [gmx-users] g_bundle question
Rebeca García Fandiño
- [gmx-users] g_bundle question
Justin A. Lemkul
- [gmx-users] g_bundle question
Rebeca García Fandiño
- [gmx-users] g_bundle question
Justin A. Lemkul
- [gmx-users] g_bundle question
Rebeca García Fandiño
- [gmx-users] g_energy: Energy names magic number mismatch
Mikhail Stukan
- [gmx-users] g_energy: Energy names magic number mismatch
Berk Hess
- [gmx-users] g_energy: Energy names magic number mismatch
Justin A. Lemkul
- [gmx-users] g_energy: Energy names magic number mismatch
Mikhail Stukan
- [gmx-users] g_energy: Energy names magic number mismatch
Justin A. Lemkul
- [gmx-users] Re: g_energy: Energy names magic number mismatch
Mikhail Stukan
- [gmx-users] Re: g_energy: Energy names magic number mismatch
Justin A. Lemkul
- [gmx-users] g_hbond results inconsistent between v4.0.7 and v4.5.1
Robin C. Underwood
- [gmx-users] g_hbond results inconsistent between v4.0.7 and v4.5.1
Erik Marklund
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Justin A. Lemkul
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Justin A. Lemkul
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Justin A. Lemkul
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Justin A. Lemkul
- [gmx-users] g_lie query
Anirban Ghosh
- [gmx-users] g_lie query
Justin A. Lemkul
- [gmx-users] g_principal
Carla Jamous
- [gmx-users] g_protonate: Can't find ffgmx2 library files
Jon Kapla
- [gmx-users] g_protonate: Can't find ffgmx2 library files
Sarath Chandra
- [gmx-users] g_protonate: Can't find ffgmx2 library files
Jon Kapla
- [gmx-users] g_protonate: Can't find ffgmx2 library files
Jon Kapla
- [gmx-users] g_protonate: Can't find ffgmx2 library files
Justin A. Lemkul
- [gmx-users] g_rotacf NH vector relaxation
Olga Ivchenko
- [gmx-users] g_tune_pme big standard deviation in perf.out output
WU Yanbin
- [gmx-users] g_wham
Nilesh Dhumal
- [gmx-users] g_wham
Justin A. Lemkul
- [gmx-users] gb_saltconc in implicit water simulations
Bob Johnson
- [gmx-users] Re: gb_saltconc in implicit water simulations
Bob Johnson
- [gmx-users] Re: gb_saltconc in implicit water simulations
devicerandom
- [gmx-users] Re: gb_saltconc in implicit water simulations
Justin A. Lemkul
- [gmx-users] Re: gb_saltconc in implicit water simulations
devicerandom
- [gmx-users] Re: gb_saltconc in implicit water simulations
Per Larsson
- [gmx-users] Re: gb_saltconc in implicit water simulations
Rogan Carr
- [gmx-users] Re: gb_saltconc in implicit water simulations
Per Larsson
- [gmx-users] generate .top file
shikha agarwal
- [gmx-users] generate .top file
Mark Abraham
- [gmx-users] generate .top file
Justin A. Lemkul
- [gmx-users] generating new velocities and exploring more of thephase space
Hassan Shallal
- [gmx-users] generating new velocities and exploring more of thephase space
Justin A. Lemkul
- [gmx-users] generating new velocities and exploring more of the phase space
Hassan Shallal
- [gmx-users] generating new velocities and exploring more of the phase space
Justin A. Lemkul
- [gmx-users] glycam force field problem
gromacs564
- [gmx-users] glycam force field problem
Oliver Grant
- [gmx-users] gmx-4.5.3 CMake build fails
Reinhold Bader
- [gmx-users] gmx-4.5.3 CMake build fails
Mark Abraham
- [gmx-users] Re: gmx-users Digest, Vol 76, Issue 59
farideh zergani
- [gmx-users] Re:gmx-users Digest, Vol 80, Issue 164
gromacs564
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 41
Gerrit Groenhof
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 41
vidhya sankar
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 6
lloyd riggs
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 64
shiva birgani
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 88
Thomas Schlesier
- [gmx-users] Re: gmx-users Digest, Vol 80, Issue 90
Chris Neale
- [gmx-users] gromacs-4.5.3 installation error
pawan raghav
- [gmx-users] Grompp error message
Sergio Manzetti
- [gmx-users] Grompp error message
Mark Abraham
- [gmx-users] group temperatures and kinetic energies
Dmitri Dubov
- [gmx-users] group temperatures and kinetic energies
Dmitri Dubov
- [gmx-users] Hard Spheres
Sascha Hempel
- [gmx-users] Hard Spheres
Amit Choubey
- [gmx-users] Hard Spheres
Sascha Hempel
- [gmx-users] Hard Spheres
Berk Hess
- [gmx-users] Hard Spheres
Sascha Hempel
- [gmx-users] Hard Spheres
devicerandom
- [gmx-users] HBOND probability
Justin A. Lemkul
- [gmx-users] HBOND probability
Poojari, Chetan
- [gmx-users] HBOND probability
Justin A. Lemkul
- [gmx-users] HBOND probability
Poojari, Chetan
- [gmx-users] HBOND probability
Justin A. Lemkul
- [gmx-users] HBOND probability
Poojari, Chetan
- [gmx-users] HBOND probability
Justin A. Lemkul
- [gmx-users] HBOND probability
Poojari, Chetan
- [gmx-users] HBOND probability
Justin A. Lemkul
- [gmx-users] HBOND probability
Poojari, Chetan
- [gmx-users] Re: Help - LINCS WARNING: bonds that rotated more than 30 degrees
Justin A. Lemkul
- [gmx-users] How can I ...?
mohsen ramezanpour
- [gmx-users] How can I ...?
Mark Abraham
- [gmx-users] how to add a electric field to the water box when do a simulation
Mark Abraham
- [gmx-users] how to add a electric field to the water box when do a simulation
Carsten Kutzner
- [gmx-users] how to add a electric field to the water box when do a simulation
Daniel P. Luis J.
- [gmx-users] how to add a electric field to the water box when do a simulation
松啸天
- [gmx-users] How to construct user specified bond potential
Jia Haitao
- [gmx-users] How to construct user specified bond potential
Justin A. Lemkul
- [gmx-users] How to construct user specified bond potential
Jia Haitao
- [gmx-users] How to construct user specified bond potential
Justin A. Lemkul
- [gmx-users] How to construct user specified bond potential
Jia Haitao
- [gmx-users] How to construct user specified bond potential
Justin A. Lemkul
- [gmx-users] How to count the number of waters in the first hydration shell of a macromolecule
chris.neale at utoronto.ca
- [gmx-users] How to define Center of Mass velocity of a specific group
Tomy van Batis
- [gmx-users] How to define Center of Mass velocity of a specific group
Justin A. Lemkul
- [gmx-users] How to define Center of Mass velocity of a specific group
Tomy van Batis
- [gmx-users] How to define Center of Mass velocity of a specific group
Justin A. Lemkul
- [gmx-users] How to force gromacs to fix all bad bonds and angles in a homology model?
Justin A. Lemkul
- [gmx-users] How to force gromacs to fix all bad bonds and angles in a homology model?
Thomas Evangelidis
- [gmx-users] How to force gromacs to fix all bad bonds and angles in a homology model?
Arthur Roberts
- [gmx-users] How to obtain the semi-axis lengths from inertia tensor for an aggregate
sa
- [gmx-users] how to specify a location of a molecule in the system
Adva Suez
- [gmx-users] how to specify a location of a molecule in the system
Erik Marklund
- [gmx-users] how to specify a location of a molecule in the system
Justin A. Lemkul
- [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group
Mark Abraham
- [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group
WU Yanbin
- [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group"
Mark Abraham
- [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group"
Carsten Kutzner
- [gmx-users] How to suppress the error "X particles communicated to PME node Y are more than a cell length out of the domain decomposition cell of their charge group"
WU Yanbin
- [gmx-users] HPC mpi how to run
gromacs
- [gmx-users] HPC mpi how to run
Justin A. Lemkul
- [gmx-users] HPC mpi how to run
Shi Wenxiong (Dr)
- [gmx-users] HPC mpi how to run batch system
gromacs
- [gmx-users] HPC mpi how to run batch system
Mark Abraham
- [gmx-users] Illegal division by zero at inflategro
shikha agarwal
- [gmx-users] Illegal division by zero at inflategro
NG HUI WEN
- [gmx-users] Inaccurate time frame
Hsin-Lin Chiang
- [gmx-users] Inaccurate time frame
Mark Abraham
- [gmx-users] Inaccurate time frame
Hsin-Lin Chiang
- [gmx-users] Inaccurate time frame
Mark Abraham
- [gmx-users] Inaccurate time frame
Hsin-Lin Chiang
- [gmx-users] Inaccurate time frame
Mark Abraham
- [gmx-users] Inaccurate time frame
Hsin-Lin Chiang
- [gmx-users] individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Re: individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Re: individual lateral diffusion coefficients
Javier Cerezo
- [gmx-users] Re: individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Re: individual lateral diffusion coefficients
Javier Cerezo
- [gmx-users] Re: individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Re: individual lateral diffusion coefficients
Justin A. Lemkul
- [gmx-users] Re: individual lateral diffusion coefficients
Javier Cerezo
- [gmx-users] Re: individual lateral diffusion coefficients
Javier Cerezo
- [gmx-users] individual lateral diffusion coefficients
Justin A. Lemkul
- [gmx-users] Re: individual lateral diffusion coefficients
Justin A. Lemkul
- [gmx-users] Re: individual lateral diffusion coefficients
XAvier Periole
- [gmx-users] Re: individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Re: individual lateral diffusion coefficients
Dallas Warren
- [gmx-users] Re: individual lateral diffusion coefficients
Javier Cerezo
- [gmx-users] Re: individual lateral diffusion coefficients
Ángel Piñeiro
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Rodrigo Faccioli
- [gmx-users] Installation GROMACS UBUNTU
Mark Abraham
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Terry
- [gmx-users] Installation GROMACS UBUNTU
Mark Abraham
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Justin A. Lemkul
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Justin A. Lemkul
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Justin A. Lemkul
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] Installation GROMACS UBUNTU
Justin A. Lemkul
- [gmx-users] Installation GROMACS UBUNTU
Sergio Manzetti
- [gmx-users] interfacial water molecules
chris.neale at utoronto.ca
- [gmx-users] Invalid atom number 101717 in indexfile
Natalie Stephenson
- [gmx-users] Invalid atom number 101717 in indexfile
Justin A. Lemkul
- [gmx-users] Invalid atom number 101717 in indexfile
Natalie Stephenson
- [gmx-users] Invalid atom number 101717 in indexfile
Justin A. Lemkul
- [gmx-users] Invalid atom number 101717 in indexfile
Natalie Stephenson
- [gmx-users] Ions and charge groups
Guido Polles
- [gmx-users] Ions and charge groups
Justin A. Lemkul
- [gmx-users] Ions and charge groups
Guido Polles
- [gmx-users] Is there an easy way to increase the energy of bonds, angles, etc?
Arthur Roberts
- [gmx-users] Is there an easy way to increase the energy of bonds, angles, etc?
Justin A. Lemkul
- [gmx-users] LINCS WARNING
Raymond.nuist
- [gmx-users] LINCS WARNING
Justin A. Lemkul
- [gmx-users] LJ Plot
nishap.patel at utoronto.ca
- [gmx-users] LJ Plot
Justin A. Lemkul
- [gmx-users] LJ Plot
nishap.patel at utoronto.ca
- [gmx-users] LJ Plot
Justin A. Lemkul
- [gmx-users] LJ Plot
nishap.patel at utoronto.ca
- [gmx-users] LJ Plot
Mark Abraham
- [gmx-users] LJ Plot
ms
- [gmx-users] LJ Plot
nishap.patel at utoronto.ca
- [gmx-users] LJ Plot
Justin A. Lemkul
- [gmx-users] LJ Plot
ms
- [gmx-users] location of aminoacids.dat
Justin A. Lemkul
- [gmx-users] location of aminoacids.dat
delara aghaie
- [gmx-users] location of aminoacids.dat
Mark Abraham
- [gmx-users] RE: Log files
Nimesh Jain
- [gmx-users] RE: Log files
Justin A. Lemkul
- [gmx-users] RE: Log files
Javier Cerezo
- [gmx-users] Major code reorganization in git coming up
Erik Lindahl
- [gmx-users] Major code reorganization in git coming up
Erik Lindahl
- [gmx-users] making maxwarn a hidden option
Mark Abraham
- [gmx-users] making maxwarn a hidden option
chris.neale at utoronto.ca
- [gmx-users] making maxwarn a hidden option
Justin A. Lemkul
- [gmx-users] making maxwarn a hidden option
Mark Abraham
- [gmx-users] making maxwarn a hidden option
chris.neale at utoronto.ca
- [gmx-users] making maxwarn a hidden option
ms
- [gmx-users] making maxwarn a hidden option
Justin A. Lemkul
- [gmx-users] making maxwarn a hidden option
chris.neale at utoronto.ca
- [gmx-users] making maxwarn a hidden option
ms
- [gmx-users] making maxwarn a hidden option
Justin A. Lemkul
- [gmx-users] making maxwarn a hidden option
ms
- [gmx-users] MD simulation at 318K
swagata chakraborty
- [gmx-users] MD simulation at 318K
Shi Wenxiong (Dr)
- [gmx-users] md.log
Ramachandran G
- [gmx-users] md.log
Justin A. Lemkul
- [gmx-users] md.log
Itamar Kass
- [gmx-users] md.log
Ramachandran G
- [gmx-users] md.log
Ramachandran G
- [gmx-users] md.log
Mark Abraham
- AW: [gmx-users] mdrun mpi segmentation fault in high load situation
Mark Abraham
- AW: [gmx-users] mdrun mpi segmentation fault in high load situation
Mark Abraham
- [gmx-users] mdrun mpi segmentation fault in high load situation
Wojtyczka, André
- [gmx-users] mdrun mpi segmentation fault in high load situation
Mark Abraham
- [gmx-users] mdrun mpi segmentation fault in high load situation
Wojtyczka, André
- [gmx-users] mdrun mpi segmentation fault in high load situation
Mark Abraham
- AW: [gmx-users] mdrun mpi segmentation fault in high load situation
Wojtyczka, André
- [gmx-users] minimization
mustafa bilsel
- [gmx-users] minimization
mustafa bilsel
- [gmx-users] minimization
Justin A. Lemkul
- [gmx-users] minimization
Justin A. Lemkul
- [gmx-users] minimization
mustafa bilsel
- [gmx-users] minimization
Justin A. Lemkul
- [gmx-users] Molecule redefined
Tanos Celmar Costa Franca
- [gmx-users] Molecule redefined
Justin A. Lemkul
- [gmx-users] MOPAC gromacs mdreun error
vidhya sankar
- [gmx-users] Re: MOPAC gromacs mdreun error (vidhya sankar)
Gerrit Groenhof
- [gmx-users] MOPAC gromacs mdreun error (vidhya sankar)
vidhya sankar
- [gmx-users] Re: MOPAC gromacs mdreun error (vidhya sankar)
Vitaly Chaban
- [gmx-users] mpi run in Gromacs 4.5.3
Te, Jerez A., Ph.D.
- [gmx-users] mpi run in Gromacs 4.5.3
Mark Abraham
- [gmx-users] mpi run in Gromacs 4.5.3
Te, Jerez A., Ph.D.
- [gmx-users] mpi run in Gromacs 4.5.3
Justin A. Lemkul
- [gmx-users] mpi run in Gromacs 4.5.3
Mark Abraham
- [gmx-users] mpi run in Gromacs 4.5.3
Te, Jerez A., Ph.D.
- [gmx-users] MPIRUN on Ubontu
גדעון לפידות
- [gmx-users] MPIRUN on Ubontu
Justin A. Lemkul
- [gmx-users] MPIRUN on Ubontu
Linus Östberg
- [gmx-users] MPIRUN on Ubontu
Hassan Shallal
- [gmx-users] multiple dihedrals
Jarmila Husby
- [gmx-users] multiple dihedrals
Mark Abraham
- [gmx-users] RE: multiple dihedrals
Jarmila Husby
- [gmx-users] RE: multiple dihedrals
Mark Abraham
- [gmx-users] NaN error using mdrun-gpu
Bongkeun Kim
- [gmx-users] neutral plasma
Igor Marques
- [gmx-users] neutral plasma
Mark Abraham
- [gmx-users] NMA
Justin A. Lemkul
- [gmx-users] NMA
Yao Yao
- [gmx-users] No such moleculetype NA+
shikha agarwal
- [gmx-users] No such moleculetype NA+
John Wesly . J
- [gmx-users] No such moleculetype NA+
YUVRAJ UBOVEJA
- [gmx-users] Normal modes for certain group
Ольга Кононова
- [gmx-users] Nose-hoover T-coupling in REMD
Qin Qiao
- [gmx-users] Nose-hoover T-coupling in REMD
Mark Abraham
- [gmx-users] Nose-hoover T-coupling in REMD
David van der Spoel
- [gmx-users] Nose-hoover T-coupling in REMD
ms
- [gmx-users] Nose-hoover T-coupling in REMD
David van der Spoel
- [gmx-users] Nose-hoover T-coupling in REMD
ms
- [gmx-users] Nose-hoover T-coupling in REMD
David van der Spoel
- [gmx-users] Nose-hoover T-coupling in REMD
Qin Qiao
- [gmx-users] Nose-hoover T-coupling in REMD
ms
- [gmx-users] Nose-hoover T-coupling in REMD
Qin Qiao
- [gmx-users] Nose-hoover T-coupling in REMD
Mark Abraham
- [gmx-users] Nose-hoover T-coupling in REMD
ms
- [gmx-users] Nose-hoover T-coupling nsttcouple
Qin Qiao
- [gmx-users] Not have PDB file of peptide
swati shah
- [gmx-users] Not have PDB file of peptide
Justin A. Lemkul
- [gmx-users] Note on oscillation period / time step
Robin C. Underwood
- [gmx-users] Note on oscillation period / time step
Javier Cerezo
- [gmx-users] Note on oscillation period / time step
Naga Rajesh Tummala
- [gmx-users] Note on oscillation period / time step
Justin A. Lemkul
- [gmx-users] Note on oscillation period / time step
Javier Cerezo
- [gmx-users] Re: Note on oscillation period / time step
Robin C. Underwood
- [gmx-users] Re: Note on oscillation period / time step
Justin A. Lemkul
- [gmx-users] number of coordinates in coordinate file does not match topology
Justin A. Lemkul
- [gmx-users] number of coordinates in coordinate file does not match topology
shikha agarwal
- [gmx-users] number of DD cells
Poojari, Chetan
- [gmx-users] number of DD cells
Poojari, Chetan
- [gmx-users] number of DD cells
Mark Abraham
- [gmx-users] number of DD cells
Poojari, Chetan
- [gmx-users] number of DD cells
Justin A. Lemkul
- [gmx-users] nve simulation
sreelakshmi ramesh
- [gmx-users] NVE simulation and pressure scaling in one dimension and constant size simulation in another.
zhongjin
- [gmx-users] NVE simulation and pressure scaling in one dimension and constant size simulation in another.
Justin A. Lemkul
- [gmx-users] NVE simulation and pressure scaling in one dimension and constant size simulation in another.
Mark Abraham
- [gmx-users] Optimization of the box size during an energy minimization?
Mark Abraham
- [gmx-users] Optimization of the box size during an energy minimization?
MyLinkka
- [gmx-users] Optimization of the box size during an energy minimization?
Justin A. Lemkul
- [gmx-users] Optimization of the box size during an energy minimization?
MyLinkka
- [gmx-users] Optimization of the box size during an energy minimization?
Justin A. Lemkul
- [gmx-users] Optimization of the box size during an energy minimization?
MyLinkka
- [gmx-users] Optimization of the box size during an energy minimization?
MyLinkka
- [gmx-users] Optimization of the box size during an energy minimization?
Terry
- [gmx-users] Optimization of the box size during an energy minimization?
MyLinkka
- [gmx-users] Optimization of the box size during an energy minimization?
Jussi Lehtola
- [gmx-users] pathologically expanding box
Greg Bowman
- [gmx-users] Re: pathologically expanding box
Vitaly Chaban
- [gmx-users] pathologically expanding box
Justin A. Lemkul
- [gmx-users] pathologically expanding box
Berk Hess
- [gmx-users] RE: pathologically expanding box
Greg Bowman
- [gmx-users] pdb2gmx and atomtype.atp
Sarath Chandra
- [gmx-users] pdb2gmx and atomtype.atp
Justin A. Lemkul
- [gmx-users] pdb2gmx and atomtype.atp
Sarath Chandra
- [gmx-users] pdb2gmx and atomtype.atp
Justin A. Lemkul
- [gmx-users] pdb2gmx and atomtype.atp
Justin A. Lemkul
- [gmx-users] perl script for g_hbond
Olga Ivchenko
- [gmx-users] perl script for g_hbond
Justin A. Lemkul
- [gmx-users] PME or Reaction field suitable for Gromos forcefield ?
Sanku M
- [gmx-users] PME or Reaction field suitable for Gromos forcefield ?
David van der Spoel
- [gmx-users] PME or Reaction field suitable for Gromos forcefield ?
Sanku M
- [gmx-users] PME or Reaction field suitable for Gromos forcefield ?
David van der Spoel
- [gmx-users] Polyglycine simulation
YUVRAJ UBOVEJA
- [gmx-users] Polyglycine simulation
Erik Marklund
- [gmx-users] Re: polymer simulations in gromacs
Justin A. Lemkul
- [gmx-users] Re: polymer simulations in gromacs
ms
- [gmx-users] Potential Energy = -nan
shikha agarwal
- [gmx-users] Potential Energy = -nan
Justin A. Lemkul
- [gmx-users] Potential Energy = -nan
shikha agarwal
- [gmx-users] Potential Energy = -nan
Justin A. Lemkul
- [gmx-users] Potential Energy = -nan
shikha agarwal
- [gmx-users] Potential Energy = -nan
shikha agarwal
- [gmx-users] Potential Energy = -nan
Justin A. Lemkul
- [gmx-users] Potential Energy = -nan
shikha agarwal
- [gmx-users] Potential Energy = -nan
Justin A. Lemkul
- [gmx-users] pressure fluctuations
Hassan Shallal
- [gmx-users] pressure fluctuations
Justin A. Lemkul
- [gmx-users] printing a trajectory file in readable format starting from a specific frame other than zero
Roland Schulz
- [gmx-users] printing a trajectory file in readable format starting from a specific frame other than zero
Silvia Crivelli
- [gmx-users] problem building Gromacs 4.5.3 using the Intel compiler
Mark Abraham
- [gmx-users] problem building Gromacs 4.5.3 using the Intel compiler
Carsten Kutzner
- [gmx-users] problem building Gromacs 4.5.3 using the Intel compiler
Miah Wadud Dr (ITCS)
- [gmx-users] problem building Gromacs 4.5.3 using the Intel compiler
Miah Wadud Dr (ITCS)
- [gmx-users] profile
Gavin Melaugh
- [gmx-users] Protein jumping out of water box
גדעון לפידות
- [gmx-users] Protein jumping out of water box
Kukol, Andreas
- [gmx-users] Protein jumping out of water box
Justin A. Lemkul
- [gmx-users] proton proton transfer
Olga Ivchenko
- [gmx-users] proton proton transfer
Justin A. Lemkul
- [gmx-users] proton proton transfer
Olga Ivchenko
- [gmx-users] proton proton transfer
Ran Friedman
- [gmx-users] proton proton transfer
Ran Friedman
- [gmx-users] proton proton transfer
Erik Marklund
- [gmx-users] proton proton transfer
Olga Ivchenko
- [gmx-users] Pull simulation odditites when viewed in VMD
Natalie Stephenson
- [gmx-users] Pull simulation odditites when viewed in VMD
Justin A. Lemkul
- [gmx-users] Pull simulation odditites when viewed in VMD
Natalie Stephenson
- [gmx-users] pulling
mohsen ramezanpour
- [gmx-users] pulling
mohsen ramezanpour
- [gmx-users] pulling
Justin A. Lemkul
- [gmx-users] pullx.xvg / pullf.xvg
Poojari, Chetan
- [gmx-users] pullx.xvg / pullf.xvg
chris.neale at utoronto.ca
- [gmx-users] pullx.xvg / pullf.xvg
Poojari, Chetan
- [gmx-users] pullx.xvg / pullf.xvg
Carsten Kutzner
- [gmx-users] pullx.xvg / pullf.xvg
Poojari, Chetan
- [gmx-users] QMMM, Segmentation fault
Olga Ivchenko
- [gmx-users] Re: QMMM, Segmentation fault
Olga Ivchenko
- [gmx-users] Question about COM-Pulling
Christian Mücksch
- [gmx-users] Question about COM-Pulling
chris.neale at utoronto.ca
- [gmx-users] Question about COM-Pulling
Christian Mücksch
- [gmx-users] Question about COM-Pulling
chris.neale at utoronto.ca
- [gmx-users] Question about COM-Pulling
Christian Mücksch
- [gmx-users] Question about COM-Pulling
Christian Mücksch
- [gmx-users] Question about COM-Pulling
Chris Neale
- [gmx-users] Question about COM-Pulling
Christian Mücksch
- [gmx-users] Question about Extention simulation in REMD
Qin Qiao
- [gmx-users] Question about Extention simulation in REMD
Justin A. Lemkul
- [gmx-users] Question about Extention simulation in REMD
Qin Qiao
- [gmx-users] Question about Extention simulation in REMD
Mark Abraham
- [gmx-users] Question about Extention simulation in REMD
Qin Qiao
- [gmx-users] Question regarding g_rdf
rainy908 at yahoo.com
- [gmx-users] Question regarding g_rdf
Justin A. Lemkul
- [gmx-users] questions about long-range electrostatic interaction in membrane systems
Jianguo Li
- [gmx-users] Ramachandran plot for non standar residues
Rebeca García Fandiño
- [gmx-users] Ramachandran plot for non standar residues
Justin A. Lemkul
- [gmx-users] Re:Re-installation(4.5.3) mdrun crashes?
lloyd riggs
- [gmx-users] Re:Re-installation(4.5.3) mdrun crashes?
Justin A. Lemkul
- [gmx-users] Re:Re: Re:RE:Re-installation(4.5.3) mdrun crashes? (Justin A. Lemkul)
lloyd riggs
- [gmx-users] reading tpx file version 73 with version 58 program
shikha agarwal
- [gmx-users] reading tpx file version 73 with version 58 program
maria goranovic
- [gmx-users] reading tpx file version 73 with version 58 program
Mark Abraham
- [gmx-users] reagarding polarisable force field in gromacs
sreelakshmi ramesh
- [gmx-users] reagarding polarisable force field in gromacs
Justin A. Lemkul
- [gmx-users] reagarding polarisable force field in gromacs
sreelakshmi ramesh
- [gmx-users] reagarding polarisable force field in gromacs
Dallas Warren
- [gmx-users] reagarding polarisable force field in gromacs
Justin A. Lemkul
- [gmx-users] reagarding polarisable force field in gromacs
sreelakshmi ramesh
- [gmx-users] reagarding polarisable force field in gromacs
Justin A. Lemkul
- [gmx-users] reagarding polarisable force field in gromacs
Mark Abraham
- [gmx-users] reagrding huggins meyer potential
sreelakshmi ramesh
- [gmx-users] reagrding huggins meyer potential
Justin A. Lemkul
- [gmx-users] reg compilation error in mopac gromacs
vidhya sankar
- [gmx-users] Reg: Dihedral conversion from fourier to RB form
vinothkumar mohanakrishnan
- [gmx-users] Reg: fatal error pdb2gmx
vinothkumar mohanakrishnan
- [gmx-users] Reg: fatal error pdb2gmx
Justin A. Lemkul
- [gmx-users] Reg: fatal error pdb2gmx
vinothkumar mohanakrishnan
- [gmx-users] Reg: fatal error pdb2gmx
Justin A. Lemkul
- [gmx-users] Reg: fatal error pdb2gmx
vinothkumar mohanakrishnan
- [gmx-users] Reg: fatal error pdb2gmx
Mark Abraham
- [gmx-users] Reg: Simulating large number of molecules
vinothkumar mohanakrishnan
- [gmx-users] Reg: Simulating large number of molecules
David van der Spoel
- [gmx-users] Reg: Simulating large number of molecules
Mark Abraham
- [gmx-users] Reg: Standard error
vinothkumar mohanakrishnan
- [gmx-users] Reg: Standard error
Mark Abraham
- [gmx-users] Reg: Standard error
vinothkumar mohanakrishnan
- [gmx-users] Reg: Standard error
Mark Abraham
- [gmx-users] Reg: Surface tension of water
vinothkumar mohanakrishnan
- [gmx-users] Reg: Surface tension of water
André Farias de Moura
- [gmx-users] Reg: Surface tension of water
vinothkumar mohanakrishnan
- [gmx-users] Reg: Surface tension of water
André Farias de Moura
- [gmx-users] Reg:Uncertainty in the average value
vinothkumar mohanakrishnan
- [gmx-users] Reg; Surface tension of liquid-liquid interface
vinothkumar mohanakrishnan
- [gmx-users] Regarding parameters of octane box in ffamber99sb - ildn
Justin A. Lemkul
- [gmx-users] Regarding parameters of octane box in ffamber99sb - ildn
YUVRAJ UBOVEJA
- [gmx-users] Remove COM of a group or of the whole system
Xiaohua Zhang
- [gmx-users] Reordering of water molecules with Na+ ions coordinates in xtc file
leila karami
- [gmx-users] Reordering of water molecules with Na+ ions coordinates in xtc file
chris.neale at utoronto.ca
- [gmx-users] Replacing charges of a residue, pdb2gmx -rtpo alternative?
J. Nathan Scott
- [gmx-users] Replacing charges of a residue, pdb2gmx -rtpo alternative?
Mark Abraham
- [gmx-users] Replacing charges of a residue, pdb2gmx -rtpo alternative?
J. Nathan Scott
- [gmx-users] Replicating an experiment
NG HUI WEN
- [gmx-users] Replicating an experiment
David van der Spoel
- [gmx-users] Replicating an experiment
NG HUI WEN
- [gmx-users] Replicating an experiment
David van der Spoel
- [gmx-users] Replicating an experiment
NG HUI WEN
- [gmx-users] Replicating an experiment
Mark Abraham
- [gmx-users] Replicating an experiment
NG HUI WEN
- [gmx-users] Restraining water
Guido Polles
- [gmx-users] Restraining water
Mark Abraham
- [gmx-users] Restraining water
David Rodríguez
- [gmx-users] Restraining water
Oliver Grant
- [gmx-users] RMSF or RMSD per residues
shiva birgani
- [gmx-users] RMSF or RMSD per residues
Justin A. Lemkul
- [gmx-users] sasa calculation with different gromacs versions
Rocco Caliandro
- [gmx-users] sasa calculation with different gromacs versions
Justin A. Lemkul
- [gmx-users] search for help
松啸天
- [gmx-users] Seeking advice on how to build Gromacs on Teragrid resources
J. Nathan Scott
- [gmx-users] Seeking advice on how to build Gromacs on Teragrid resources
Mark Abraham
- [gmx-users] Seeking advice on how to build Gromacs on Teragrid resources
Roland Schulz
- [gmx-users] Seeking advice on how to build Gromacs on Teragrid resources
J. Nathan Scott
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
leila karami
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Erik Marklund
- [gmx-users] Segmentation fault in g_hbond
Justin A. Lemkul
- [gmx-users] Setting up e-mail notifications
boaz kan-tor
- [gmx-users] Setting up e-mail notifications
Erik Marklund
- [gmx-users] Silly question?
Sergio Manzetti
- [gmx-users] Silly question?
Justin A. Lemkul
- [gmx-users] Silly question?
Sergio Manzetti
- [gmx-users] Silly question?
chris.neale at utoronto.ca
- [gmx-users] Silly question?
Justin A. Lemkul
- [gmx-users] Simulated Annealing parameters
Ehud Schreiber
- [gmx-users] Simulated Annealing parameters
Mark Abraham
- [gmx-users] simulation at constant temprature
sreelakshmi ramesh
- [gmx-users] simulation at constant temprature
Jussi Lehtola
- [gmx-users] simulation of membrane protein
shikha agarwal
- [gmx-users] simulation of membrane protein
shikha agarwal
- [gmx-users] simulation of membrane protein
shikha agarwal
- [gmx-users] simulation of membrane protein
Sarath Chandra Dantu
- [gmx-users] simulation of membrane protein
Justin A. Lemkul
- [gmx-users] Some tools not described any more in online manual
Emanuel Peter
- [gmx-users] Some tools not described any more in online manual
Justin A. Lemkul
- [gmx-users] Speed up my jobs with PME and grid spacing?
TJ Mustard
- [gmx-users] Speed up my jobs with PME and grid spacing?
Justin A. Lemkul
- [gmx-users] Speed up my jobs with PME and grid spacing?
Mark Abraham
- [gmx-users] Speed up my jobs with PME and grid spacing?
Florian Dommert
- [gmx-users] Speed up my jobs with PME and grid spacing?
Mark Abraham
- [gmx-users] stopping mdrun without error massage
Mahnam
- [gmx-users] stopping mdrun without error massage
Carsten Kutzner
- [gmx-users] strange xpm output of g_rmsdist!
Hassan Shallal
- Subject: [gmx-users] : MOPAC gromacs mdreun error (vidhya sankar)
Gerrit Groenhof
- [gmx-users] Terminal_ARG_residue causing problem in pdb2gmx
shahid nayeem
- [gmx-users] Terminal_ARG_residue causing problem in pdb2gmx
Mark Abraham
- [gmx-users] topolbuild1_3 install problem
gromacs564
- [gmx-users] topolbuild1_3 install problem
gromacs564
- [gmx-users] topolbuild1_3 install problem
Mark Abraham
- [gmx-users] topolbuild1_3 install problem
gromacs564
- [gmx-users] topolbuild1_3 install problem
Bruce D. Ray
- [gmx-users] topolbuild1_3 install problem
Bruce D. Ray
- [gmx-users] Re:Re: tpbconv -zeroq results all coulombic energies to zero
BIN ZHANG
- [gmx-users] tpbconv -zeroq results all coulombic energies to zero
BIN ZHANG
- [gmx-users] tpbconv -zeroq results all coulombic energies to zero
David van der Spoel
- [gmx-users] tpbconv extension
ram bio
- [gmx-users] Re: tpbconv extension
ram bio
- [gmx-users] Re: tpbconv extension
Justin A. Lemkul
- [gmx-users] Re: tpbconv extension
ram bio
- [gmx-users] Re: tpbconv extension
Justin A. Lemkul
- [gmx-users] Re: tpbconv extension
Berk Hess
- [gmx-users] Re: tpbconv extension
Berk Hess
- [gmx-users] Re: tpbconv extension
ram bio
- [gmx-users] Re: tpbconv extension
Berk Hess
- [gmx-users] Re: tpbconv extension
ram bio
- [gmx-users] Re: tpbconv extension
Berk Hess
- [gmx-users] tpr-files.dat and pullf-files.dat
Poojari, Chetan
- [gmx-users] tpr-files.dat and pullf-files.dat
Justin A. Lemkul
- [gmx-users] tpr-files.dat and pullf-files.dat
Poojari, Chetan
- [gmx-users] tpr-files.dat and pullf-files.dat
Justin A. Lemkul
- [gmx-users] Trjcat append error
Rosanne Zeiler
- [gmx-users] trouble parallelizing a simulation over a cluster
Hassan Shallal
- [gmx-users] Re: trouble parallelizing a simulation over a cluster
Carsten Kutzner
- [gmx-users] Re: trouble parallelizing a simulation over a cluster
Hassan Shallal
- [gmx-users] two graphene sheets are blowing up
zhongjin
- [gmx-users] two graphene sheets are blowing up
Mark Abraham
- [gmx-users] Umberella sampling
mohsen ramezanpour
- [gmx-users] Umberella sampling
Justin A. Lemkul
- [gmx-users] Umberella sampling
mohsen ramezanpour
- [gmx-users] Umberella sampling
chris.neale at utoronto.ca
- [gmx-users] umberella sampling
mohsen ramezanpour
- [gmx-users] umberella sampling
Justin A. Lemkul
- [gmx-users] Umbrella sampling
Justin A. Lemkul
- [gmx-users] umbrella sampling
Justin A. Lemkul
- [gmx-users] Umbrella sampling
Nilesh Dhumal
- [gmx-users] umbrella sampling
Poojari, Chetan
- [gmx-users] Unknown bond_atomtype MNH3
shikha agarwal
- [gmx-users] Unknown bond_atomtype MNH3
Justin A. Lemkul
- [gmx-users] Updating Ubuntu
Sergio Manzetti
- [gmx-users] Updating Ubuntu
Mark Abraham
- [gmx-users] using recolor.sh to color the xpm matrix files produced by r_rms and g_mdmat
Tsjerk Wassenaar
- [gmx-users] using recolor.sh to color the xpm matrix files produced by r_rms and g_mdmat
Hassan Shallal
- [gmx-users] v-rescale and conserved energy
Mikhail Stukan
- [gmx-users] v-rescale and conserved energy
Berk Hess
- [gmx-users] velocity rescaling
sreelakshmi ramesh
- [gmx-users] velocity rescaling
Justin A. Lemkul
- [gmx-users] virtual sites and heavy atoms for longer time steps
Hassan Shallal
- [gmx-users] virtual sites and heavy atoms for longer time steps
Mark Abraham
- [gmx-users] Re: Re: Re: water genbox 3x3x0.8 EM not successful T not high
Vitaly Chaban
- [gmx-users] Re: Re: Re: water genbox 3x3x0.8 EM not successful T not high
Vitaly Chaban
- [gmx-users] Re:Re: Re: water genbox 3x3x0.8 EM not successful T not high
Mark Abraham
- [gmx-users] Re:Re: Re: water genbox 3x3x0.8 EM not successful T not high
Mark Abraham
- [gmx-users] Re: Re: water genbox 3x3x0.8 EM not successful T not high
Vitaly Chaban
- [gmx-users] Re:Re: Re: water genbox 3x3x0.8 EM not successful T not high
gromacs
- [gmx-users] water genbox 3x3x0.8 EM not successful T not high
gromacs
- [gmx-users] water genbox 3x3x0.8 EM not successful T not high
Javier Cerezo
- [gmx-users] water genbox 3x3x0.8 EM not successful T not high
Mark Abraham
- [gmx-users] Re: water genbox 3x3x0.8 EM not successful T not high
Vitaly Chaban
- [gmx-users] Re: water genbox 3x3x0.8 EM not successful T not high
Vitaly Chaban
- [gmx-users] Re:Re: water genbox 3x3x0.8 EM not successful T not high
gromacs
- [gmx-users] water genbox 3x3x0.8 EM not successful T not high
gromacs
- [gmx-users] water genbox 3x3x0.8 EM not successful T too high
gromacs
- [gmx-users] water genbox 3x3x0.8 EM not successful T too high
Dallas Warren
- [gmx-users] water models add polarization, water film
gromacs
- [gmx-users] water models add polarization, water film
Justin A. Lemkul
- [gmx-users] Re: water models add polarization, water film
Vitaly Chaban
- [gmx-users] water-air interface
Mark Abraham
- [gmx-users] water-air interface
铁锋 彭
- [gmx-users] water-air interface surface tension
gromacs
- [gmx-users] water-air interface surface tension
David van der Spoel
- [gmx-users] water-air interface surface tension
vinothkumar mohanakrishnan
- [gmx-users] what do you do?
mohsen ramezanpour
- [gmx-users] what is the "nicelevel" ?
GZ Zhang
- [gmx-users] what is the "nicelevel" ?
Justin A. Lemkul
- [gmx-users] what is the "nicelevel" ?
Linus Östberg
- [gmx-users] What might be the process if we wanted to sim a peptide + a peptide?
Justin A. Lemkul
- [gmx-users] What might be the process if we wanted to sim a peptide + a peptide?
swati shah
- [gmx-users] What might be the process if we wanted to sim a peptide + a peptide?
Justin A. Lemkul
- [gmx-users] What might be the process if we wanted to sim a peptide + a peptide?
swati shah
- [gmx-users] Which .tpr file to use for g_rms?
Anirban Ghosh
- [gmx-users] Which .tpr file to use for g_rms?
Justin A. Lemkul
- [gmx-users] Which .tpr file to use for g_rms?
Anirban Ghosh
- [gmx-users] Which .tpr file to use for g_rms?
Justin A. Lemkul
- [gmx-users] Which .tpr file to use for g_rms?
Anirban Ghosh
- [gmx-users] Which .tpr file to use for g_rms?
Mark Abraham
- [gmx-users] Which .tpr file to use for g_rms?
Anirban Ghosh
- [gmx-users] Which .tpr file to use for g_rms?
Mark Abraham
- [gmx-users] Re: Which FF could be used for protein-RNA MD simulation in GROMACS?
Justin A. Lemkul
- [gmx-users] Re: Which FF could be used for protein-RNA MD simulation in GROMACS?
Vitaly Chaban
- [gmx-users] Re:Re: Which FF could be used for protein-RNA MD simulation in GROMACS?
lloyd riggs
- [gmx-users] Re:Re: Which FF could be used for protein-RNA MD simulation in GROMACS?
Thomas Piggot
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Justin A. Lemkul
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Liu Shiyong
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Liu Shiyong
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Liu Shiyong
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Liu Shiyong
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Justin A. Lemkul
- [gmx-users] Which FF could be used for protein-RNA MD simulation in GROMACS?
Liu Shiyong
- [gmx-users] work calculation
Aswathy
- [gmx-users] work calculation
chris.neale at utoronto.ca
- [gmx-users] writing the means of every 100 potential energies into an output file
Justin A. Lemkul
- [gmx-users] writing the means of every 100 potential energies into an output file
mustafa bilsel
Last message date:
Fri Dec 31 15:28:15 CET 2010
Archived on: Thu Nov 14 12:09:55 CET 2013
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