February 2011 Archives by date

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Starting: Tue Feb 1 01:33:11 CET 2011
Ending: Mon Feb 28 23:48:53 CET 2011
Messages: 806

[gmx-users] Anil Kumar invited you to Dropbox Dropbox
[gmx-users] Re: Essential dynamics bharat gupta
[gmx-users] RE : essential dynamics bharat gupta
[gmx-users] How to calculate solvation energy? Saikat Banerjee
[gmx-users] Re: RE : essential dynamics bharat gupta
[gmx-users] mdrun with append option Mark Abraham
[gmx-users] Source Code for Lennard Jones Interaction Mark Abraham
[gmx-users] General MD question Carsten Kutzner
[gmx-users] extending a simulation Adwait Mevada
[gmx-users] Re: RE : essential dynamics Tsjerk Wassenaar
[gmx-users] General MD question Itamar Kass (Med)
[gmx-users] Re: RE : essential dynamics bharat gupta
[gmx-users] Charge groups mohsen ramezanpour
[gmx-users] segmentation fault: g_velacc Vigneshwar Ramakrishnan
[gmx-users] hbond constraint Justin A. Lemkul
[gmx-users] Charge groups Justin A. Lemkul
[gmx-users] segmentation fault: g_velacc Justin A. Lemkul
[gmx-users] segmentation fault: g_velacc Carsten Kutzner
[gmx-users] extending a simulation Mark Abraham
[gmx-users] segmentation fault: g_velacc Carsten Kutzner
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] g_velacc Nilesh Dhumal
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] angle constrain, constrained PF6 anion gyorgy.hantal at fc.up.pt
[gmx-users] angle constrain, constrained PF6 anion Justin A. Lemkul
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] luck Mr Bernard Ramos
[gmx-users] luck Justin A. Lemkul
[gmx-users] luck Mr Bernard Ramos
[gmx-users] luck Justin A. Lemkul
[gmx-users] lactam bridge problems Jerez Te
[gmx-users] angle constrain, constrained PF6 anion gyorgy.hantal at fc.up.pt
[gmx-users] luck Mr Bernard Ramos
[gmx-users] lactam bridge problems Justin A. Lemkul
[gmx-users] angle constrain, constrained PF6 anion Justin A. Lemkul
[gmx-users] g_velacc Florian Dommert
[gmx-users] Re: angle constrain, constrained PF6 anion Vitaly Chaban
[gmx-users] Inaccurate pressure readings Denny Frost
[gmx-users] lactam bridge problems Jerez Te
[gmx-users] Re: g_velacc Vitaly Chaban
[gmx-users] Inaccurate pressure readings Justin A. Lemkul
[gmx-users] Inaccurate pressure readings Denny Frost
[gmx-users] Dynamics of non-protein molecules. Yasen Atanasov
[gmx-users] Inaccurate pressure readings Justin A. Lemkul
[gmx-users] Dynamics of non-protein molecules. Justin A. Lemkul
[gmx-users] Inaccurate pressure readings Denny Frost
[gmx-users] Inaccurate pressure readings Justin A. Lemkul
[gmx-users] Protein in a solvated box simon sham
[gmx-users] Protein in a solvated box Justin A. Lemkul
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] mdrun with append option Mark Abraham
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] RE : Essential dynamics bharat gupta
[gmx-users] Re: RE : essential dynamics bharat gupta
[gmx-users] segmentation fault: g_velacc Vigneshwar Ramakrishnan
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] Re:General MD question lloyd riggs
[gmx-users] Re: change in secondary structure Justin A. Lemkul
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] links warnangles vferrario at units.it
[gmx-users] Re: change in secondary structure Justin A. Lemkul
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] Re:General MD question Carsten Kutzner
[gmx-users] Re: change in secondary structure Justin A. Lemkul
[gmx-users] links warnangles vferrario at units.it
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] Re: change in secondary structure Justin A. Lemkul
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] Re: change in secondary structure Justin A. Lemkul
[gmx-users] Re: change in secondary structure bharat gupta
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] error during installation of gromacs 4.5.3 on windows (cygwin platform) bharat gupta
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] links warnangles vferrario at units.it
[gmx-users] links warnangles Dimitris Dellis
[gmx-users] protein+ligand+membrane: which forcefield? anna.marabotti at isa.cnr.it
[gmx-users] energy minimization of a charged system in vacuum devicerandom
[gmx-users] links warnangles Justin A. Lemkul
[gmx-users] energy minimization of a charged system in vacuum devicerandom
[gmx-users] protein+ligand+membrane: which forcefield? Justin A. Lemkul
[gmx-users] Improper dihedral Thomas Koller
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Mark Abraham
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] links warnangles Dimitris Dellis
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Sai Pooja
[gmx-users] mdrun with append option Justin A. Lemkul
[gmx-users] links warnangles vferrario at units.it
[gmx-users] protein+ligand+membrane: which forcefield? vferrario at units.it
[gmx-users] how to add hydrogen ions Olga Ivchenko
[gmx-users] how to add hydrogen ions Mark Abraham
[gmx-users] how to add hydrogen ions Erik Marklund
[gmx-users] how to add hydrogen ions Olga Ivchenko
[gmx-users] protein+ligand+membrane: which forcefield? Anna Marabotti
[gmx-users] water segment in the z-direction chris.neale at utoronto.ca
[gmx-users] solvent change-reg. chandran karunakaran
[gmx-users] solvent change-reg. Justin A. Lemkul
[gmx-users] Energy calculation problem with molecule leaving the box Gordan Horvat
[gmx-users] Normal modes are not orthogonal??? Kumaran Baskaran
[gmx-users] Normal modes are not orthogonal??? David van der Spoel
[gmx-users] Nonequilibrium MD- implementing a temperature gradient simulation Gaurav Goel
[gmx-users] Adding modified nucleotide to a forcefield william Stebbeds
[gmx-users] Adding modified nucleotide to a forcefield Justin A. Lemkul
[gmx-users] High Temperature simulations simon sham
[gmx-users] High Temperature simulations Justin A. Lemkul
[gmx-users] view the vibrational modes Ramachandran G
[gmx-users] view the vibrational modes Mark Abraham
[gmx-users] Adding modified nucleotide to a forcefield william Stebbeds
[gmx-users] Adding modified nucleotide to a forcefield Justin A. Lemkul
[gmx-users] Adding modified nucleotide to a forcefield Mark Abraham
[gmx-users] Adding modified nucleotide to a forcefield william Stebbeds
[gmx-users] Adding modified nucleotide to a forcefield Justin A. Lemkul
[gmx-users] Energy calculation problem with molecule leaving the box Mark Abraham
[gmx-users] Adding modified nucleotide to a forcefield william Stebbeds
[gmx-users] Normal modes are not orthogonal??? Kumaran Baskaran
[gmx-users] problem with force fields while running membrane protein simulation Mohana lakshmi
[gmx-users] problem with force fields while running membrane protein simulation Mark Abraham
[gmx-users] problem with force fields while running membrane protein simulation Mohana lakshmi
[gmx-users] problem with force fields while running membrane protein simulation Mark Abraham
[gmx-users] problem with force fields while running membrane protein simulation Mohana lakshmi
[gmx-users] what standard is successful when doing EM gromacs
[gmx-users] what standard is successful when doing EM Mark Abraham
[gmx-users] problem with force fields while running membrane protein simulation Justin A. Lemkul
[gmx-users] Re: Energy calculation problem with molecule leaving the box Gordan Horvat
[gmx-users] Error Messages simon sham
[gmx-users] Error Messages Justin A. Lemkul
[gmx-users] harmonic restraint with OpenMM Jochen Hub
[gmx-users] Re: Starting two threads bharat gupta
[gmx-users] Re: Starting two threads william Stebbeds
[gmx-users] Porting Amber parmbsc0 force field to Gromacs william Stebbeds
[gmx-users] Porting Amber parmbsc0 force field to Gromacs Justin A. Lemkul
[gmx-users] Charge groups mohsen ramezanpour
[gmx-users] Re: Charge groups mohsen ramezanpour
[gmx-users] topology with all hydrogens mohsen ramezanpour
[gmx-users] How to include specific atom in force field ffG43a1 Rini Gupta
[gmx-users] How to include specific atom in force field ffG43a1 Rini Gupta
[gmx-users] gnuplot delara aghaie
[gmx-users] gnuplot Tim Harder
[gmx-users] topology with all hydrogens Tsjerk Wassenaar
[gmx-users] topology with all hydrogens mohsen ramezanpour
[gmx-users] topology with all hydrogens Tsjerk Wassenaar
[gmx-users] Charge groups Justin A. Lemkul
[gmx-users] How to include specific atom in force field ffG43a1 Justin A. Lemkul
[gmx-users] Warning: atom names in CG topology file and CG pdb file do not match Faezeh Kargar
[gmx-users] Warning: atom names in CG topology file and CG pdb file do not match Justin A. Lemkul
[gmx-users] include a few .itp files Алексей Раевский
[gmx-users] include a few .itp files Justin A. Lemkul
[gmx-users] Why REMD simulation becomes so slow when the number of replicas becomes large? Qiong Zhang
[gmx-users] Why REMD simulation becomes so slow when the number of replicas becomes large? Mark Abraham
[gmx-users] interface_enrgy shahid nayeem
[gmx-users] interface_enrgy Justin A. Lemkul
[gmx-users] interface_enrgy shahid nayeem
[gmx-users] interface_enrgy Justin A. Lemkul
[gmx-users] configure: error: cannot compute sizeof (off_t) vferrario at units.it
[gmx-users] Why REMD simulation becomes so slow when the number of replicas becomes large? Qiong Zhang
[gmx-users] free energy calculation , grompp crash Da-Wei Li
[gmx-users] Why REMD simulation becomes so slow when the number of replicas becomes large? Mark Abraham
[gmx-users] Minimization and torsion angles abdullah ahmed
[gmx-users] about heating protocol Osmany Guirola Cruz
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Re: free energy calculation , grompp crash TJ Mustard
[gmx-users] about heating protocol Justin A. Lemkul
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Re: free energy calculation , grompp crash Justin A. Lemkul
[gmx-users] Re: free energy calculation , grompp crash TJ Mustard
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] pdb2gmx conversion loss of significant figures Matthew Chan
[gmx-users] about pressure coupling Osmany Guirola Cruz
[gmx-users] pdb2gmx conversion loss of significant figures Justin A. Lemkul
[gmx-users] about pressure coupling Justin A. Lemkul
[gmx-users] Re: free energy calculation , grompp crash TJ Mustard
[gmx-users] Re: free energy calculation , grompp crash Justin A. Lemkul
[gmx-users] Minimization and torsion angles Mark Abraham
[gmx-users] configure: error: cannot compute sizeof (off_t) Mark Abraham
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Re: free energy calculation , grompp crash Justin A. Lemkul
[gmx-users] Anealling TJ Mustard
[gmx-users] Anealling Justin A. Lemkul
[gmx-users] Increasing machine precision abdullah ahmed
[gmx-users] Re:Re:Why REMD simulation becomes so slow when the number of replicas becomes large? Qiong Zhang
[gmx-users] Increasing machine precision Erik Marklund
[gmx-users] Re: No residue type for 'ARG' as a starting terminus bipin singh
[gmx-users] OPLS and RB parameters in GROMACS sulatha M. S
[gmx-users] Re:gmx-users Digest, Vol 82, Issue 56 gromacs
[gmx-users] sufrace tension RMSD too big gromacs
[gmx-users] OPLS and RB parameters in GROMACS Andrew Paluch
[gmx-users] Reduced Units Tomy van Batis
[gmx-users] Re: free energy calculation , grompp crash Da-Wei Li
[gmx-users] Nice Present boaz kan-tor
[gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water wezhao at ucalgary.ca
[gmx-users] Help with B2AR within the POPC membrane Aldo Segura
[gmx-users] Help with B2AR within the POPC membrane Justin A. Lemkul
[gmx-users] Help with B2AR within the POPC membrane Aldo Segura
[gmx-users] Help with B2AR within the POPC membrane Justin A. Lemkul
[gmx-users] Help with B2AR within the POPC membrane Aldo Segura
[gmx-users] Re: g_rmsf bharat gupta
[gmx-users] Re: g_rmsf Justin A. Lemkul
[gmx-users] Re: g_rmsf bharat gupta
[gmx-users] Re: g_rmsf Justin A. Lemkul
[gmx-users] Re: g_rmsf bipin singh
[gmx-users] solvation_box_preparation shahid nayeem
[gmx-users] Re: g_rmsf bharat gupta
[gmx-users] Re: g_rmsf Tsjerk Wassenaar
[gmx-users] Re: g_rmsf bipin singh
[gmx-users] Re: g_rmsf bharat gupta
[gmx-users] Re: g_rmsf Tsjerk Wassenaar
[gmx-users] Re: No residue type for 'ARG' as a starting terminus Mark Abraham
[gmx-users] OPLS and RB parameters in GROMACS sulatha M. S
[gmx-users] Re: g_rmsf bharat gupta
[gmx-users] Re: No residue type for 'ARG' as a starting terminus bipin singh
[gmx-users] OPLS and RB parameters in GROMACS Mark Abraham
[gmx-users] Re: g_rmsf Mark Abraham
[gmx-users] Re: No residue type for 'ARG' as a starting terminus Mark Abraham
[gmx-users] Re: No residue type for 'ARG' as a starting terminus bipin singh
[gmx-users] OPLS and RB parameters in GROMACS sulatha M. S
[gmx-users] add force field lina zhao
[gmx-users] add force field David van der Spoel
[gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water XAvier Periole
[gmx-users] add force field lina zhao
[gmx-users] OPLS and RB parameters in GROMACS Rainer Boeckmann
[gmx-users] OPLS and RB parameters in GROMACS Rainer Boeckmann
[gmx-users] add force field Mark Abraham
[gmx-users] add force field lina zhao
[gmx-users] OPLS and RB parameters in GROMACS sulatha M. S
[gmx-users] gen_vel during gradual NVT equilibration bipin singh
[gmx-users] gen_vel during gradual NVT equilibration Justin A. Lemkul
[gmx-users] gen_vel during gradual NVT equilibration Erik Marklund
[gmx-users] solvation_box_preparation Justin A. Lemkul
[gmx-users] error in equilibration shiva birgani
[gmx-users] error in equilibration Mark Abraham
[gmx-users] error in equilibration Justin A. Lemkul
[gmx-users] solvation_box_preparation Justin A. Lemkul
[gmx-users] pull code Poojari, Chetan
[gmx-users] pull code Justin A. Lemkul
[gmx-users] ask for help on MARTINI SIMULATION OF POPC lipids with polarisable water wezhao at ucalgary.ca
[gmx-users] PRODRG mohsen ramezanpour
[gmx-users] PRODRG Mark Abraham
[gmx-users] Dangling phospholipids "Dr. Ramón Garduño-Juárez"
[gmx-users] Dangling phospholipids Justin A. Lemkul
[gmx-users] PRODRG jorge_quintero at ciencias.uis.edu.co
[gmx-users] PRODRG TJ Mustard
[gmx-users] PRODRG Justin A. Lemkul
[gmx-users] Annealing--Fatal Error message can't be right. William Welch
[gmx-users] Annealing--Fatal Error message can't be right. Justin A. Lemkul
[gmx-users] Comparing ff in Topology file by PRODRG and gromos G45a3 XUEMING TANG
[gmx-users] Comparing ff in Topology file by PRODRG and gromos G45a3 Justin A. Lemkul
[gmx-users] PRODRG jorge_quintero at ciencias.uis.edu.co
[gmx-users] Domain decomposition configuration Denny Frost
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] Domain decomposition configuration Denny Frost
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] Domain decomposition configuration Denny Frost
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] Domain decomposition configuration Denny Frost
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] g_hbond and 4.5.2 version Zuzana Benkova
[gmx-users] g_hbond and 4.5.2 version Justin A. Lemkul
[gmx-users] how to switch from NPT to NVT ensemble during equilibration Rini Gupta
[gmx-users] how to switch from NPT to NVT ensemble during equilibration Mark Abraham
[gmx-users] Domain decomposition configuration Mark Abraham
[gmx-users] localpressure.dat file not created maxcw at physics.ucsb.edu
[gmx-users] localpressure.dat file not created Mark Abraham
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] Domain decomposition configuration Mark Abraham
[gmx-users] Domain decomposition configuration Justin A. Lemkul
[gmx-users] pull code Poojari, Chetan
[gmx-users] server_for_Gaussian shahid nayeem
[gmx-users] Error: No such moleculetype Protein Anirban Ghosh
[gmx-users] pull code Justin A. Lemkul
[gmx-users] server_for_Gaussian Justin A. Lemkul
[gmx-users] Re: server_for_Gaussian Thomas Schlesier
[gmx-users] Error: No such moleculetype Protein Tsjerk Wassenaar
[gmx-users] Error: No such moleculetype Protein Anirban Ghosh
[gmx-users] Error: No such moleculetype Protein Anirban Ghosh
[gmx-users] WHAM with multiple force constants jkhao at ifr88.cnrs-mrs.fr
[gmx-users] WHAM with multiple force constants XAvier Periole
[gmx-users] Re: server_for_Gaussian Diego Enry
[gmx-users] PRODRG mohsen ramezanpour
[gmx-users] PRODRG Justin A. Lemkul
[gmx-users] ref_temp and gen_temp during simulated annealing bipin singh
[gmx-users] ref_temp and gen_temp during simulated annealing Justin A. Lemkul
[gmx-users] rotamers during minimization abdullah ahmed
[gmx-users] rotamers during minimization Justin A. Lemkul
[gmx-users] localpressure.dat file not created maxcw at physics.ucsb.edu
[gmx-users] localpressure.dat file not created Justin A. Lemkul
[gmx-users] Dangling phospholipids Dallas Warren
[gmx-users] Problem with Gromacs Installation majid hasan
[gmx-users] More than one settle type. Sikandar Mashayak
[gmx-users] crashed simulation: simulation of docked proteins in spc water crashes with LINCS warning Sanjay Kumar Upadhyay
[gmx-users] More than one settle type. Mark Abraham
[gmx-users] crashed simulation: simulation of docked proteins in spc water crashes with LINCS warning Mark Abraham
[gmx-users] re: extending the simulation bharat gupta
[gmx-users] Fwd: Question on Gromacs: rlist, rvdw, rcoulomb David van der Spoel
[gmx-users] Re: Extending the simulation bharat gupta
[gmx-users] PRODRG mohsen ramezanpour
[gmx-users] Re: crashed simulation: simulation of docked proteins in spc water crashes with LINCS warning (Mark Abraham) Sanjay Kumar Upadhyay
[gmx-users] PRODRG Justin A. Lemkul
[gmx-users] Re: Extending the simulation Mark Abraham
[gmx-users] PRODRG Mark Abraham
[gmx-users] Re: crashed simulation: simulation of docked proteins in spc water crashes with LINCS warning (Mark Abraham) Mark Abraham
[gmx-users] Re: crashed simulation: simulation of docked proteins in spc water crashes with LINCS warning (Mark Abraham) Justin A. Lemkul
[gmx-users] Performance in ia64 and x86_64 Ignacio Fernández Galván
[gmx-users] Re: Extending the simulation bharat gupta
[gmx-users] Charges Tanos Franca
[gmx-users] Charges Justin A. Lemkul
[gmx-users] Re: Extending the simulation Justin A. Lemkul
[gmx-users] NVT run Thomas Koller
[gmx-users] NVT run Mark Abraham
[gmx-users] NVT run Justin A. Lemkul
[gmx-users] Performance in ia64 and x86_64 Mark Abraham
[gmx-users] Fwd: Question on Gromacs: rlist, rvdw, rcoulomb Mark Abraham
[gmx-users] Fwd: Question on Gromacs: rlist, rvdw, rcoulomb Erik Marklund
[gmx-users] Performance in ia64 and x86_64 Ignacio Fernández Galván
[gmx-users] Performance in ia64 and x86_64 Carsten Kutzner
[gmx-users] extracting a structure from confout.gro file najwa drici
[gmx-users] extracting a structure from confout.gro file Justin A. Lemkul
[gmx-users] rotamers and rings abdullah ahmed
[gmx-users] rotamers and rings Justin A. Lemkul
[gmx-users] only one model is displayed Kwee Hong
[gmx-users] Re: only one model is displayed Kwee Hong
[gmx-users] Re: only one model is displayed Justin A. Lemkul
[gmx-users] doubts on g_confrms output Kwee Hong
[gmx-users] doubts on g_confrms output Mark Abraham
[gmx-users] extracting a structure from confout.gro file Mark Abraham
[gmx-users] Add custom residue to DNA index group william Stebbeds
[gmx-users] Performance in ia64 and x86_64 Mark Abraham
[gmx-users] Add custom residue to DNA index group Mark Abraham
[gmx-users] Add custom residue to DNA index group william Stebbeds
[gmx-users] doubts on g_confrms output Kwee Hong
[gmx-users] Add custom residue to DNA index group Sarath Chandra Dantu
[gmx-users] Add custom residue to DNA index group william Stebbeds
[gmx-users] Add custom residue to DNA index group Justin A. Lemkul
[gmx-users] Add custom residue to DNA index group william Stebbeds
[gmx-users] Terminus Atoms genrestr? TJ Mustard
[gmx-users] Add custom residue to DNA index group Justin A. Lemkul
[gmx-users] Terminus Atoms genrestr? Justin A. Lemkul
[gmx-users] Add custom residue to DNA index group william Stebbeds
[gmx-users] Terminus Atoms genrestr? TJ Mustard
[gmx-users] Terminus Atoms genrestr? Justin A. Lemkul
[gmx-users] Terminus Atoms genrestr? TJ Mustard
[gmx-users] Terminus Atoms genrestr? Teemu Murtola
[gmx-users] Terminus Atoms genrestr? Justin A. Lemkul
[gmx-users] genbox error Rini Gupta
[gmx-users] doubts on g_confrms output Mark Abraham
[gmx-users] genbox error Justin A. Lemkul
[gmx-users] Terminus Atoms genrestr? Mark Abraham
[gmx-users] genbox error Mark Abraham
[gmx-users] Dangling phospholipids "Dr. Ramón Garduño-Juárez"
[gmx-users] genbox error Mark Abraham
[gmx-users] Dangling phospholipids Justin A. Lemkul
Re:[gmx-users] genbox error Rini Gupta
[gmx-users] genbox error Mark Abraham
Re: Re: [gmx-users] genbox error Rini Gupta
[gmx-users] doubts on g_confrms output Tsjerk Wassenaar
[gmx-users] doubts on g_confrms output Mark Abraham
[gmx-users] doubts on g_confrms output David van der Spoel
[gmx-users] gromos96 charges najwa drici
[gmx-users] gromos96 charges Justin A. Lemkul
[gmx-users] Active site mohsen ramezanpour
[gmx-users] Active site Justin A. Lemkul
[gmx-users] doubts on g_confrms output Tsjerk Wassenaar
[gmx-users] how to fixe distance najwa drici
[gmx-users] how to fixe distance Mark Abraham
[gmx-users] how to fixe distance Justin A. Lemkul
[gmx-users] FEP energy errors with positional restraints? TJ Mustard
[gmx-users] FEP energy errors with positional restraints? Mark Abraham
[gmx-users] leapfrog does not yet support Nose-Hoover chains 英雄不再寂寞
[gmx-users] Output of Gromacs Demo majid hasan
[gmx-users] FEP energy errors with positional restraints? TJ Mustard
[gmx-users] Output of Gromacs Demo TJ Mustard
[gmx-users] FEP energy errors with positional restraints? Mark Abraham
[gmx-users] FEP energy errors with positional restraints? TJ Mustard
[gmx-users] FEP energy errors with positional restraints? Mark Abraham
[gmx-users] Output of Gromacs Demo Tsjerk Wassenaar
[gmx-users] FEP energy errors with positional restraints? TJ Mustard
[gmx-users] FEP energy errors with positional restraints? Mark Abraham
[gmx-users] Active site mohsen ramezanpour
[gmx-users] Re: gmx-users Digest, Vol 82, Issue 103 Adwait Mevada
[gmx-users] lateral pressure analysis Adwait Mevada
[gmx-users] Active site Justin A. Lemkul
[gmx-users] Re: Group LEU not found in index file Adam Bin Idu Jion
[gmx-users] specific heat leila separdar
[gmx-users] Active site mohsen ramezanpour
[gmx-users] Re: Group LEU not found in index file Justin A. Lemkul
[gmx-users] Active site Justin A. Lemkul
[gmx-users] Output of Gromacs Demo majid hasan
[gmx-users] Output of Gromacs Demo Justin A. Lemkul
Fw: [gmx-users] Output of Gromacs Demo majid hasan
Fw: [gmx-users] Output of Gromacs Demo Justin A. Lemkul
Fw: [gmx-users] Output of Gromacs Demo Tsjerk Wassenaar
[gmx-users] Output of Gromacs Demo majid hasan
[gmx-users] Output of Gromacs Demo Justin A. Lemkul
[gmx-users] Output of Gromacs Demo majid hasan
[gmx-users] TI problem: When Lambda is 0/1, Trun on/off soft core potential get different result jia jia
[gmx-users] Fwd: specific heat leila separdar
[gmx-users] Fwd: specific heat David van der Spoel
[gmx-users] CG to FG transformation error Anirban Ghosh
[gmx-users] different between g_hbond version babu gokul
[gmx-users] different between g_hbond version Erik Marklund
[gmx-users] CG to FG transformation error Justin A. Lemkul
[gmx-users] Simulation using Martini force field politr at fh.huji.ac.il
[gmx-users] Simulation using Martini force field XAvier Periole
[gmx-users] how to use virtual sites? Chuipeng Kong
[gmx-users] visualizing more than 9999 residues.... Anna Marabotti
[gmx-users] visualizing more than 9999 residues.... Tsjerk Wassenaar
[gmx-users] pull code Poojari, Chetan
[gmx-users] R: visualizing more than 9999 residues... Anna Marabotti
[gmx-users] pull code Justin A. Lemkul
[gmx-users] R: visualizing more than 9999 residues... Tsjerk Wassenaar
[gmx-users] question regarding friction coefficient in stochastic dynamics Thomas Schlesier
[gmx-users] Simulation using Martini force field devicerandom
[gmx-users] visualizing more than 9999 residues.... Nicolas SAPAY
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Simulation using Martini force field politr at fh.huji.ac.il
[gmx-users] free energy Moeed
[gmx-users] free energy TJ Mustard
[gmx-users] free energy TJ Mustard
[gmx-users] Gromacs Installation lina zhao
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Gromacs Installation Justin A. Lemkul
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Gromacs Installation ZHAO Lina
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Gromacs Installation ZHAO Lina
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Gromacs Installation Mark Abraham
[gmx-users] Simulation using Martini force field XAvier Periole
[gmx-users] Simulation using Martini force field Ran Friedman
[gmx-users] Simulation using Martini force field XAvier Periole
[gmx-users] different between g_hbond version babu gokul
[gmx-users] R: gmx-users Digest, Vol 82, Issue 113 Anna Marabotti
[gmx-users] ffamber03 top file problem gromacs564
[gmx-users] number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology Parul tew
[gmx-users] number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology Terry
[gmx-users] g_hbond and 4.5.2 version Erik Marklund
[gmx-users] ffamber03 top file problem X.Periole
[gmx-users] Whereabouts of NDLP??? ifat shub
[gmx-users] Whereabouts of NDLP??? Tsjerk Wassenaar
[gmx-users] g_dipole Nilesh Dhumal
[gmx-users] g_hbond and 4.5.2 version Zuzana Benkova
[gmx-users] g_dipole David van der Spoel
[gmx-users] g_dipole Nilesh Dhumal
[gmx-users] g_dipole Justin A. Lemkul
[gmx-users] NVE simulation Thomas Koller
[gmx-users] NVE simulation Justin A. Lemkul
[gmx-users] Umbrella sampling windows Susana Tomasio
[gmx-users] Umbrella sampling windows Justin A. Lemkul
[gmx-users] Umbrella sampling windows Laura Kingsley
[gmx-users] Umbrella sampling windows Laura Kingsley
[gmx-users] Umbrella sampling windows Susana Tomasio
[gmx-users] Umbrella sampling windows Susana Tomasio
[gmx-users] top2psf.pl issue: trying to use vmd w/ MARTINI protein John
[gmx-users] top2psf.pl issue: trying to use vmd w/ MARTINI protein Justin A. Lemkul
[gmx-users] Simulation using Martini force field politr at fh.huji.ac.il
[gmx-users] Advanced Simulation Analysis simon sham
[gmx-users] Advanced Simulation Analysis David van der Spoel
[gmx-users] Re: free energy TJ Mustard
[gmx-users] free energy Michael Shirts
[gmx-users] Gromacs Installation majid hasan
[gmx-users] Repulsion instead of adsorption mina Madah
[gmx-users] Repulsion instead of adsorption Justin A. Lemkul
[gmx-users] Simulation using Martini force field devicerandom
[gmx-users] on force fields Mr Bernard Ramos
[gmx-users] g_rmsf reference structure? kulleperuma.kulleperuma at utoronto.ca
[gmx-users] on force fields Mark Abraham
[gmx-users] g_rmsf reference structure? Mark Abraham
[gmx-users] Conatant pH simulation in GROMACS bipin singh
[gmx-users] Conatant pH simulation in GROMACS Mark Abraham
[gmx-users] Periodic Boundary Conditions g_mindist -pi ifat shub
[gmx-users] Periodic Boundary Conditions g_mindist -pi Tsjerk Wassenaar
[gmx-users] g_rmsf reference structure? Tsjerk Wassenaar
[gmx-users] Re: gromacs QM/MM compilation with gaussian Txema Mercero
[gmx-users] Re: Periodic Boundary Conditions g_mindist -pi ifat shub
[gmx-users] Re: Periodic Boundary Conditions g_mindist -pi Mark Abraham
[gmx-users] initial structures for md simulations oguz gurbulak
[gmx-users] Re: Periodic Boundary Conditions g_mindist -pi Tsjerk Wassenaar
[gmx-users] initial structures for md simulations Mark Abraham
[gmx-users] Re: gromacs QM/MM compilation with gaussian (Txema Mercero) Gerrit Groenhof
[gmx-users] Re: gromacs QM/MM compilation with gaussian (Txema Mercero) Txema Mercero
[gmx-users] Re: gromacs QM/MM compilation with gaussian (Txema Mercero) Gerrit Groenhof
[gmx-users] Re: gromacs QM/MM compilation with gaussian (Txema Mercero) Xiaohu Li
[gmx-users] Re: Re: g_rmsf reference structure? (Tsjerk Wassenaar) kulleperuma.kulleperuma at utoronto.ca
[gmx-users] Protein-membrane system Aldo Segura
[gmx-users] Protein-membrane system Justin A. Lemkul
[gmx-users] g_hbond and 4.5.2 version Zuzana Benkova
[gmx-users] Re: angle constrain, constrained PF6 anion Vitaly Chaban
[gmx-users] g_hbond and 4.5.2 version Erik Marklund
[gmx-users] mpirun error? Justin Kat
[gmx-users] mpirun error? Justin A. Lemkul
[gmx-users] Protein-membrane system Itamar Kass
[gmx-users] zero atoms for FE P Moeed
[gmx-users] zero atoms for FE P Justin A. Lemkul
[gmx-users] Protein-membrane system Jianguo Li
[gmx-users] RE: simulation of a metal binding sites bharat gupta
[gmx-users] mismatch between energies of sequential minimization runs Efrat Noy
[gmx-users] RE: simulation of a metal binding sites Ran Friedman
[gmx-users] Re: gromacs QM/MM compilation with gaussian (Txema Mercero) Txema Mercero
[gmx-users] R. Re: Re: gromacs QM/MM compilation with gaussian (Txema Mercero) (Txema Mercero) Gerrit Groenhof
[gmx-users] R. Re: Re: gromacs QM/MM compilation with gaussian (Txema Mercero) (Txema Mercero) Txema Mercero
[gmx-users] R. Re: Re: gromacs QM/MM compilation with gaussian (Txema Mercero) (Txema Mercero) Gerrit Groenhof
[gmx-users] R. Re: Re: gromacs QM/MM compilation with gaussian (Txema Mercero) (Txema Mercero) Txema Mercero
[gmx-users] Protein-membrane system Justin A. Lemkul
[gmx-users] initial structures for md simulations leila separdar
[gmx-users] free energy blank dgdl Moeed
[gmx-users] free energy blank dgdl Justin A. Lemkul
[gmx-users] free energy blank dgdl Da-Wei Li
[gmx-users] mismatch between energies of sequential minimization runs Mark Abraham
[gmx-users] Influence of rtpi on chemical potential Pranay Doshi
[gmx-users] domain decomposition error Moeed
[gmx-users] domain decomposition error Justin A. Lemkul
[gmx-users] I need ligand topology file ajaniharesh at gmail.com
[gmx-users] I need ligand topology file Justin A. Lemkul
[gmx-users] Re: angle constrain, constrained PF6 anion Vitaly Chaban
[gmx-users] Weeks Chandler Andersen potential Rohit Malshe
[gmx-users] Weeks Chandler Andersen potential Justin A. Lemkul
[gmx-users] saving velocities and coordinates frequently Amit Choubey
[gmx-users] saving velocities and coordinates frequently Justin A. Lemkul
[gmx-users] RE: simulation of a metal binding sites bharat gupta
[gmx-users] RE: simulation of a metal binding sites Justin A. Lemkul
[gmx-users] about -CN triple bond C.Y. Chang
[gmx-users] backbone_few_sidechain_fixed shahid nayeem
[gmx-users] backbone_few_sidechain_fixed Mark Abraham
[gmx-users] saving velocities and coordinates frequently Mark Abraham
[gmx-users] about -CN triple bond Mark Abraham
[gmx-users] RE: simulation of a metal binding sites Marc Baaden
[gmx-users] RE: simulation of a metal binding sites bharat gupta
[gmx-users] Re: Adding small molecule parameters to charmm force field bharat gupta
[gmx-users] Re: RE: simulation of a metal binding sites (bharat gupta) Ran Friedman
[gmx-users] where to insert a new include DPOSRES in topology file? Anna Marabotti
[gmx-users] where to insert a new include DPOSRES in topology file? Justin A. Lemkul
[gmx-users] Fwd: Adding small molecule parameters to charmm force field bharat gupta
[gmx-users] Fwd: Adding small molecule parameters to charmm force field Justin A. Lemkul
[gmx-users] Fwd: Adding small molecule parameters to charmm force field bharat gupta
[gmx-users] Target implementation date for gb_saltconc? Matthew Zwier
[gmx-users] WHAM with multiple force constants Jochen Hub
[gmx-users] configure: error: cannot compute sizeof (off_t) Justin Kat
[gmx-users] configure: error: cannot compute sizeof (off_t) Mark Abraham
[gmx-users] about -CN triple bond C.Y. Chang
[gmx-users] about -CN triple bond Mark Abraham
[gmx-users] about -CN triple bond C.Y. Chang
[gmx-users] about -CN triple bond Mark Abraham
[gmx-users] SO4 ion simon sham
[gmx-users] SO4 ion Justin A. Lemkul
[gmx-users] unable to display MARTINI system with VMD John
[gmx-users] unable to display MARTINI system with VMD Justin A. Lemkul
[gmx-users] unable to display MARTINI system with VMD Justin A. Lemkul
[gmx-users] Umbrella sampling for protein-drug system Aldo Segura
[gmx-users] Umbrella sampling for protein-drug system Justin A. Lemkul
[gmx-users] configure: error: cannot compute sizeof (off_t) Justin Kat
[gmx-users] on force fields Mr Bernard Ramos
[gmx-users] on force fields Justin A. Lemkul
[gmx-users] on force fields Mr Bernard Ramos
[gmx-users] on force fields Justin A. Lemkul
[gmx-users] g_covar to calculate correlation of motion bipin singh
[gmx-users] about -CN triple bond C.Y. Chang
[gmx-users] g_covar to calculate correlation of motion Tsjerk Wassenaar
[gmx-users] g_covar to calculate correlation of motion bipin singh
[gmx-users] removing pbc jumps from trajectory Evelyne Deplazes
[gmx-users] removing pbc jumps from trajectory XAvier Periole
[gmx-users] Re: gmx-users Digest, Vol 82, Issue 150 Evelyne Deplazes
[gmx-users] Re: gmx-users Digest, Vol 82, Issue 150 XAvier Periole
[gmx-users] configure: error: cannot compute sizeof (off_t) Carsten Kutzner
[gmx-users] Re: gmx-users Digest, Vol 82, Issue 150 Tsjerk Wassenaar
[gmx-users] g_covar to calculate correlation of motion Tsjerk Wassenaar
[gmx-users] g_covar to calculate correlation of motion bipin singh
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] how many contacts has a certain atom at MD XAvier Periole
[gmx-users] how many contacts has a certain atom at MD Erik Marklund
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] Porting Amber parmbsc0 force field to Gromacs william Stebbeds
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] Target implementation date for gb_saltconc? Per Larsson
[gmx-users] diffusion constant Rebeca García Fandiño
[gmx-users] free energy-couple-intramol options Moeed
[gmx-users] PMF from pull code, unexpected results Michael Brunsteiner
[gmx-users] An argument about long range electrostatics Hassan Shallal
[gmx-users] An argument about long range electrostatics Justin A. Lemkul
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] ffamber03 RB dihedrals and amb2gmx.pl problem! gromacs564
[gmx-users] PMF from pull code, unexpected results chris.neale at utoronto.ca
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] Can g_wham support using different temperature for different windows? chris.neale at utoronto.ca
[gmx-users] membrane bilayer simulation by OPLS FF mircial at sjtu.edu.cn
[gmx-users] %exist hydrogen bond leila karami
[gmx-users] membrane bilayer simulation by OPLS FF Dallas Warren
[gmx-users] diffusion coefficients Thomas Koller
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] %exist hydrogen bond Justin A. Lemkul
[gmx-users] ffamber03 RB dihedrals and amb2gmx.pl problem! gromacs564
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] Can g_wham support using different temperature for different windows? XAvier Periole
[gmx-users] Dielectric constant for alkanes based on shell polarizable model aldi asmadi
[gmx-users] test on g_density JAVIER CEREZO BASTIDA
[gmx-users] problems with randoms seeds Thomas Schlesier
[gmx-users] Re: problems with randoms seeds Thomas Schlesier
[gmx-users] index file for interaction energies Nick
[gmx-users] index file for interaction energies Justin A. Lemkul
[gmx-users] index file for interaction energies Nick
[gmx-users] index file for interaction energies Justin A. Lemkul
[gmx-users] index file for interaction energies Nick
[gmx-users] index file for interaction energies Justin A. Lemkul
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] Re: Differences in rmsd with different force field bharat gupta
[gmx-users] Re: Differences in rmsd with different force field Justin A. Lemkul
[gmx-users] Re: Differences in rmsd with different force field bharat gupta
[gmx-users] Re: Differences in rmsd with different force field Justin A. Lemkul
[gmx-users] Re:gmx-users Digest, Vol 82, Issue 168 gromacs564
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] configure: error: cannot compute sizeof (off_t) Justin Kat
[gmx-users] GROMACS installation query Tom Dupree
[gmx-users] configure: error: cannot compute sizeof (off_t) Mark Abraham
[gmx-users] Re: Adding chromophore parameters to the charmm force field bharat gupta
[gmx-users] scaling of replica exchange Valeria Losasso
[gmx-users] scaling of replica exchange Mark Abraham
[gmx-users] scaling of replica exchange Luca Bellucci
[gmx-users] scaling of replica exchange Luca
[gmx-users] Van der waals interaction between nanotubes sakthi kumaran
[gmx-users] scaling of replica exchange Valeria Losasso
[gmx-users] scaling of replica exchange Valeria Losasso
[gmx-users] %exist hydrogen bond leila karami
[gmx-users] Library file ffamber_tip3p.gro not found in current directory sunita gupta
[gmx-users] GROMACS installation query Carsten Kutzner
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] scaling of replica exchange Mark Abraham
[gmx-users] scaling of replica exchange Fabio Affinito
[gmx-users] scaling of replica exchange Mark Abraham
[gmx-users] Can g_wham support using different temperature for different windows? Patrick Fuchs
[gmx-users] Re: Adding chromophore parameters to the charmm force field Justin A. Lemkul
[gmx-users] Van der waals interaction between nanotubes Justin A. Lemkul
[gmx-users] %exist hydrogen bond Justin A. Lemkul
[gmx-users] Library file ffamber_tip3p.gro not found in current directory Justin A. Lemkul
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] %exist hydrogen bond leila karami
[gmx-users] Van der waals interaction between nanotubes sakthi kumaran
[gmx-users] Van der waals interaction between nanotubes Justin A. Lemkul
[gmx-users] %exist hydrogen bond Justin A. Lemkul
[gmx-users] test on g_density chris.neale at utoronto.ca
[gmx-users] Can g_wham support using different temperature for different windows? XAvier Periole
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] Residue 'DEF' not found in residue topology database Emine Deniz Tekin
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] %exist hydrogen bond leila karami
[gmx-users] Can g_wham support using different temperature for different windows? Jianguo Li
[gmx-users] Can g_wham support using different temperature for different windows? Justin A. Lemkul
[gmx-users] Residue 'DEF' not found in residue topology database Justin A. Lemkul
[gmx-users] Website search broken Justin A. Lemkul
[gmx-users] Website search broken Emine Deniz Tekin
[gmx-users] Website search broken Olga Ivchenko
[gmx-users] Interatomic distance matrices J. Nathan Scott
[gmx-users] Interatomic distance matrices Tsjerk Wassenaar
[gmx-users] widom insertion Thomas Koller
[gmx-users] Re: PMF from pull code, unexpected results Michael Brunsteiner
[gmx-users] trr files transferability Ravi Bhadauria
[gmx-users] trr files transferability Mark Abraham
[gmx-users] Residue 'DEF' not found in residue topology database Emine Deniz Tekin
[gmx-users] Minimisation restraints Carla Jamous
[gmx-users] 9 particles communicated to PME node 5 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x. ajani haresh
[gmx-users] negative steps from tpbconv Jesper Sørensen
[gmx-users] negative steps from tpbconv XAvier Periole
[gmx-users] topology files for ligands in MD Simulation under OPLS AA force field mircial at sjtu.edu.cn
[gmx-users] Residue 'DEF' not found in residue topology database Justin A. Lemkul
[gmx-users] Minimisation restraints Justin A. Lemkul
[gmx-users] 9 particles communicated to PME node 5 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x. Justin A. Lemkul
[gmx-users] topology files for ligands in MD Simulation under OPLS AA force field Justin A. Lemkul
[gmx-users] negative steps from tpbconv Jesper Sørensen
[gmx-users] negative steps from tpbconv Tsjerk Wassenaar
[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ? gromacs564
[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ? Erik Marklund
[gmx-users] CNT topology sara
[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ? Erik Marklund
[gmx-users] CNT topology Justin A. Lemkul
[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ? Justin A. Lemkul
[gmx-users] negative steps from tpbconv XAvier Periole
[gmx-users] negative steps from tpbconv Jesper Sørensen
[gmx-users] negative steps from tpbconv Tsjerk Wassenaar
[gmx-users] How to countting Hbonds lifetime gromacs564
[gmx-users] g_rms and g_cluster shahid nayeem
[gmx-users] g_rms and g_cluster Justin A. Lemkul
[gmx-users] How to countting Hbonds lifetime Justin A. Lemkul
[gmx-users] PMF from pull code, unexpected results chris.neale at utoronto.ca
[gmx-users] %exist hydrogen bond - difference between number of lines in input and output files leila karami
[gmx-users] %exist hydrogen bond - difference between number of lines in input and output files Justin A. Lemkul
[gmx-users] Re: How to countting Hbonds lifetime gromacs564
[gmx-users] Re: How to countting Hbonds lifetime Justin A. Lemkul
[gmx-users] water-medited hydrogen bonds - %exist hydrogen bonds leila karami
[gmx-users] PMF from pull code, unexpected results Michael Brunsteiner
[gmx-users] topology files for ligands in MD Simulation under OPLS AA force field Michael Brunsteiner
[gmx-users] water-medited hydrogen bonds - %exist hydrogen bonds Justin A. Lemkul
[gmx-users] Minimisation restraints Thomas Evangelidis
[gmx-users] Stress/strain analysis Tandia, Adama
[gmx-users] GAUSSIAN Error message Sergio Manzetti
[gmx-users] GAUSSIAN Error message TJ Mustard
[gmx-users] GAUSSIAN Error message Sergio Manzetti
[gmx-users] g_dipole Nilesh Dhumal
[gmx-users] Re: gmx-users Digest, Vol 82, Issue 189 Gerrit Groenhof
[gmx-users] g_dipole Justin A. Lemkul
[gmx-users] g_dipole Nilesh Dhumal
[gmx-users] g_dipole Justin A. Lemkul
[gmx-users] henry constant Thomas Koller
[gmx-users] g_dipole André Farias de Moura
[gmx-users] em mdrun Nick
[gmx-users] em mdrun Justin A. Lemkul
[gmx-users] em mdrun Nick
[gmx-users] Help please. Brody Bessire
[gmx-users] Help please. Dallas Warren
[gmx-users] em mdrun Nick
[gmx-users] em mdrun Justin A. Lemkul
[gmx-users] index file groups Nick
[gmx-users] GAUSSIAN Error message Txema Mercero
[gmx-users] Performance in ia64 and x86_64 Ignacio Fernández Galván
[gmx-users] Performance in ia64 and x86_64 Carsten Kutzner
[gmx-users] how many contacts has a certain atom at MD Olga Ivchenko
[gmx-users] Performance in ia64 and x86_64 Mark Abraham
[gmx-users] index file groups Mark Abraham
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] how many contacts has a certain atom at MD Justin A. Lemkul
[gmx-users] Performance in ia64 and x86_64 Ignacio Fernández Galván
[gmx-users] Questions on combination of Berger's united-atom force field for lipid and OPLS_AA force field for protein mircial at sjtu.edu.cn
[gmx-users] PBC Carla Jamous
[gmx-users] Values of radial density profiles sa
[gmx-users] PBC Justin A. Lemkul
[gmx-users] PBC Carla Jamous
[gmx-users] GAUSSIAN Error message TJ Mustard
[gmx-users] index file groups Moeed
[gmx-users] Questions on combination of Berger's united-atom force field for lipid and OPLS_AA force field for protein chris.neale at utoronto.ca
[gmx-users] g_velacc -mol option Vigneshwar Ramakrishnan
[gmx-users] Nitrogen box sarah k
[gmx-users] Fwd: Enquire about double strand DNA in gmx 4.5.3 charmm27 ff.Thank you. David van der Spoel
[gmx-users] Fwd: Enquire about double strand DNA in gmx 4.5.3 charmm27 ff.Thank you. David van der Spoel
[gmx-users] query against box collapsed in case of tightly bound ligand devawati dutta
[gmx-users] Nitrogen box Justin A. Lemkul
[gmx-users] query against box collapsed in case of tightly bound ligand Justin A. Lemkul
[gmx-users] henry constant Thomas Koller
[gmx-users] problem with gromcas 4.5.3 leila separdar
[gmx-users] problem with gromcas 4.5.3 Justin A. Lemkul
[gmx-users] PROCHEK-NMR instalation problem najwa drici
[gmx-users] PROCHEK-NMR instalation problem Justin A. Lemkul
[gmx-users] excess chemical potential Thomas Koller
[gmx-users] ***Extended deadline: March 18*** COMETS 2011 - 2nd International Track on Collaborative Modeling and Simulation - Call for Papers Daniele Gianni
[gmx-users] Positive potential energy in simulation using polarizable model aldi asmadi
[gmx-users] Positive potential energy in simulation using polarizable model David van der Spoel
[gmx-users] Positive potential energy in simulation using polarizable model aldi asmadi
[gmx-users] Positive potential energy in simulation using polarizable model David van der Spoel
[gmx-users] Re: Enquire about double strand DNA in gmx 4.5.3 charmm27 ff.Thank you. Justin A. Lemkul
[gmx-users] .tdr file not created sakthi kumaran
[gmx-users] about -CN triple bond C.Y. Chang
[gmx-users] AlF4 - producing LINCS errors Matthew Cliff
[gmx-users] AlF4 - producing LINCS errors Mark Abraham
[gmx-users] about -CN triple bond Mark Abraham
[gmx-users] .tdr file not created Justin A. Lemkul
[gmx-users] Regarding without solvent(water). ajaniharesh at gmail.com
[gmx-users] Regarding without solvent(water). Justin A. Lemkul
[gmx-users] H-bond autocorrelation doubts bipin singh
[gmx-users] Regarding without solvent(water). ajaniharesh at gmail.com
[gmx-users] question about GBSA and opls-aa Baoqiang Cao
[gmx-users] H-bond autocorrelation doubts André Farias de Moura
[gmx-users] question about GBSA and opls-aa Per Larsson
[gmx-users] Regarding without solvent(water). Justin A. Lemkul
[gmx-users] H-bond autocorrelation doubts bipin singh
[gmx-users] oplsaa galactose nishap.patel at utoronto.ca
[gmx-users] question about GBSA and opls-aa Baoqiang Cao
[gmx-users] Re: Regarding without solvent(water). Justin A. Lemkul
[gmx-users] AlF4 - producing LINCS errors Matthew Cliff
[gmx-users] oplsaa galactose Justin A. Lemkul
[gmx-users] oplsaa galactose nishap.patel at utoronto.ca
[gmx-users] Help regarding terinary complex simulation with ZN at active site kala
[gmx-users] H-bond autocorrelation doubts Erik Marklund
[gmx-users] Help regarding terinary complex simulation with ZN at active site Justin A. Lemkul
[gmx-users] H-bond autocorrelation doubts André Farias de Moura
[gmx-users] H-bond autocorrelation doubts bipin singh
[gmx-users] H-bond autocorrelation doubts Erik Marklund
[gmx-users] How to obtain the average radial density functions relative to the center of mass with g_rdf. sa
[gmx-users] How to obtain the average radial density functions relative to the center of mass with g_rdf. Dallas Warren
[gmx-users] charge group radii- use maxwarn or increase rlist? Moeed
[gmx-users] charge group radii- use maxwarn or increase rlist? Justin A. Lemkul
[gmx-users] charge group radii- use maxwarn or increase rlist? Moeed

Last message date: Mon Feb 28 23:48:53 CET 2011
Archived on: Thu Nov 14 12:10:22 CET 2013

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