gmx-users

Messages by Date

2013/10/08 [gmx-users] Question about installing DSSP on Ubuntu 12.10 Mass
2013/10/08 [gmx-users] On the usage of g_sas Jernej Zidar
2013/10/08 RE: [gmx-users] Regarding lipid bilayer Kukol, Andreas
2013/10/08 Re: [gmx-users] Re: g_hydorder Nidhi Katyal
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Trayder Thomas
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
2013/10/07 [gmx-users] Regarding lipid bilayer hasthi
2013/10/07 [gmx-users] Can I generate Pulf files after mD running? Yoochan,Myung
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Trayder Thomas
2013/10/07 [gmx-users] Re: pdb2gmx takes phosphoserine as terminal ends Villarealed
2013/10/07 Re: [gmx-users] pdb2gmx takes phosphoserine as terminal ends Justin Lemkul
2013/10/07 [gmx-users] pdb2gmx takes phosphoserine as terminal ends Villarealed
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Justin Lemkul
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
2013/10/07 RE: [gmx-users] Re: parallel simulation Kukol, Andreas
2013/10/07 Re: [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box Justin Lemkul
2013/10/07 [gmx-users] Calculating the distance between protein and ligand during ligand diffusion out of the box bipin singh
2013/10/07 [gmx-users] Re: parallel simulation pratibha kapoor
2013/10/07 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/10/07 Re: [gmx-users] Bilayer thickness Justin Lemkul
2013/10/07 [gmx-users] Bilayer thickness Archana Sonawani-Jagtap
2013/10/07 Re: [gmx-users] parallel simulation Venkat Reddy
2013/10/07 [gmx-users] some code for writing topologies Laura Leay
2013/10/07 [gmx-users] parallel simulation pratibha kapoor
2013/10/06 Re: [gmx-users] change of bilayer structure during NVT equilibration Justin Lemkul
2013/10/06 [gmx-users] change of bilayer structure during NVT equilibration shahab shariati
2013/10/06 Re: [gmx-users] pair distribution function Archana Sonawani-Jagtap
2013/10/06 Re: [gmx-users] pair distribution function Justin Lemkul
2013/10/06 [gmx-users] pair distribution function Archana Sonawani-Jagtap
2013/10/06 Re: [gmx-users] change of bilayer structure during NVT equilibration Justin Lemkul
2013/10/06 [gmx-users] change of bilayer structure during NVT equilibration shahab shariati
2013/10/06 Re: [gmx-users] Regarding lipid bilayer simulation Justin Lemkul
2013/10/06 Re: [gmx-users] how to calculate kinetic constant? rajat desikan
2013/10/05 [gmx-users] Regarding lipid bilayer simulation hasthi
2013/10/05 [gmx-users] how to calculate kinetic constant? Christopher Neale
2013/10/05 Re: [gmx-users] how to calculate kinetic constant? rajat desikan
2013/10/05 [gmx-users] how to calculate kinetic constant? Christopher Neale
2013/10/05 [gmx-users] pull-code constant-force direction gives unexpected error about distance larger than box size Christopher Neale
2013/10/04 Re: [gmx-users] Membrane is shifted a lot during umbrella sampling Justin Lemkul
2013/10/04 [gmx-users] What are F1~F4 of Equation(4.63) of Gromacs manual-4.5.6 Insung
2013/10/04 [gmx-users] pull-code constant-force direction gives unexpected error about distance larger than box size Christopher Neale
2013/10/04 [gmx-users] Verlett buffer drift Venkatesh Ramakrishnan
2013/10/04 Re: [gmx-users] how to calculate kinetic constant? David van der Spoel
2013/10/04 [gmx-users] Membrane is shifted a lot during umbrella sampling Christopher Neale
2013/10/04 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/10/04 Re: [gmx-users] how to calculate kinetic constant? rajat desikan
2013/10/04 [gmx-users] how to calculate kinetic constant? Albert
2013/10/03 [gmx-users] Membrane is shifted a lot during umbrella sampling sudipta
2013/10/03 Re: [gmx-users] double bond Justin Lemkul
2013/10/03 Re: [gmx-users] double bond Ehsan Sadeghi
2013/10/03 Re: [gmx-users] double bond Justin Lemkul
2013/10/03 [gmx-users] double bond Ehsan Sadeghi
2013/10/03 Re: [gmx-users] Question regarding g_order Justin Lemkul
2013/10/03 [gmx-users] Question regarding g_order sa
2013/10/03 [gmx-users] GAFFlipids for Gromacs? Ollila Samuli
2013/10/03 Re: [gmx-users] Re: Problem running free energy simulations Michael Shirts
2013/10/03 [gmx-users] Re: Problem running free energy simulations Jernej Zidar
2013/10/03 [gmx-users] pulling along hexane-water interface prithvi raj pandey
2013/10/02 [gmx-users] (no subject) prithvi raj pandey
2013/10/02 Re: [gmx-users] Problem running free energy simulations Michael Shirts
2013/10/02 [gmx-users] Problem running free energy simulations Jernej Zidar
2013/10/02 Re: [gmx-users] Invalid line in coordinate file (grompp tool) Justin Lemkul
2013/10/02 [gmx-users] Invalid line in coordinate file (grompp tool) Andrew Bostick
2013/10/02 Re: [gmx-users] Invalid line in coordinate file (grompp tool) Justin Lemkul
2013/10/02 [gmx-users] Invalid line in coordinate file (grompp tool) Andrew Bostick
2013/10/01 [gmx-users] installing Gromacs4.6.3 with CPMD Collins Nganou
2013/10/01 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/10/01 Re: [gmx-users] Re: g_hydorder David van der Spoel
2013/10/01 [gmx-users] Re: g_hydorder Nidhi Katyal
2013/10/01 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/10/01 Re: [gmx-users] Installing Extended Genbox Mark Abraham
2013/10/01 Re: [gmx-users] Installing Extended Genbox Justin Lemkul
2013/10/01 Re: [gmx-users] Installing Extended Genbox Tegar Nurwahyu Wijaya
2013/10/01 [gmx-users] g_hydorder Nidhi Katyal
2013/10/01 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/10/01 Re: [gmx-users] Installing Extended Genbox Mark Abraham
2013/09/30 [gmx-users] Installing Extended Genbox Tegar Nurwahyu Wijaya
2013/09/30 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/30 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/30 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/30 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/09/30 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/30 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/30 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/30 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/30 Re: [gmx-users] (no subject) Justin Lemkul
2013/09/30 [gmx-users] (no subject) suhani nagpal
2013/09/29 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/29 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/29 Re: [gmx-users] concenating cpt or not required? Justin Lemkul
2013/09/29 Re: [gmx-users] Deuterate organic solvent Justin Lemkul
2013/09/29 Re: [gmx-users] Adding hydrogen Justin Lemkul
2013/09/29 [gmx-users] concenating cpt or not required? Xu Dong Huang
2013/09/29 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/09/29 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/29 [gmx-users] Regarding g_membed Venkat Reddy
2013/09/28 [gmx-users] Deuterate organic solvent Jonathan Saboury
2013/09/28 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/09/28 [gmx-users] Adding hydrogen Abu Naser
2013/09/28 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/28 Re: [gmx-users] Restarting simulation -s. files? Xu Dong Huang
2013/09/28 Re: [gmx-users] Restarting simulation -s. files? Justin Lemkul
2013/09/28 Re: [gmx-users] Restarting simulation -s. files? Xu Dong Huang
2013/09/28 Re: [gmx-users] Restarting simulation -s. files? Justin Lemkul
2013/09/28 [gmx-users] Restarting simulation -s. files? Xu Dong Huang
2013/09/28 Re: [gmx-users] Regarding atom numbering in .top and .gro files Justin Lemkul
2013/09/28 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/09/28 [gmx-users] Regarding atom numbering in .top and .gro files bipin singh
2013/09/28 Re: [gmx-users] g_select problem Albert
2013/09/28 Re: [gmx-users] g_select problem rajat desikan
2013/09/28 [gmx-users] g_select problem Albert
2013/09/27 Re: [gmx-users] principal component analysis Tsjerk Wassenaar
2013/09/27 [gmx-users] principal component analysis pratibha kapoor
2013/09/27 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/27 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/27 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/27 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 RE: [gmx-users] Membrane simulation with OPLS ff. Karthigeyan.Nagarajan
2013/09/27 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 [gmx-users] RE: Membrane simulation with OPLS ff. Karthigeyan.Nagarajan
2013/09/27 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/27 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/27 Re: [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 Re: [gmx-users] ionomer topolgy Justin Lemkul
2013/09/27 [gmx-users] ionomer topolgy Ehsan Sadeghi
2013/09/27 Re: [gmx-users] Membrane simulation with OPLS ff. Oliver Beckstein
2013/09/27 Re: [gmx-users] Re: Re: calculating dihedral properties Justin Lemkul
2013/09/27 Re: [gmx-users] principal component analysis Tsjerk Wassenaar
2013/09/27 [gmx-users] Re: Re: calculating dihedral properties Anna Marabotti
2013/09/27 [gmx-users] principal component analysis pratibha kapoor
2013/09/27 Re: [gmx-users] trjcat after trjconv Venkat Reddy
2013/09/26 Re: [gmx-users] trjcat after trjconv Tsjerk Wassenaar
2013/09/26 Re: [gmx-users] trjcat after trjconv Venkat Reddy
2013/09/26 Re: [gmx-users] Writing periodic image coordinates. Kavyashree M
2013/09/26 [gmx-users] OPLS/AA + TIP5P, anybody? Christopher Neale
2013/09/26 Re: [gmx-users] "Illegal instruction" error from alchemical-gromacs.py Michael Shirts
2013/09/26 Re: [gmx-users] Membrane simulation with OPLS ff. Justin Lemkul
2013/09/26 [gmx-users] Membrane simulation with OPLS ff. Christopher Neale
2013/09/26 [gmx-users] "Illegal instruction" error from alchemical-gromacs.py Christopher Neale
2013/09/26 Re: [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Michael Shirts
2013/09/26 [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Christopher Neale
2013/09/26 Re: [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Michael Shirts
2013/09/26 Re: [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Michael Shirts
2013/09/26 [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Christopher Neale
2013/09/26 [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Christopher Neale
2013/09/26 Re: [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Michael Shirts
2013/09/26 [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Christopher Neale
2013/09/26 Re: [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Mark Abraham
2013/09/26 [gmx-users] Membrane simulation with OPLS ff. Karthigeyan.Nagarajan
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Justin Lemkul
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Justin Lemkul
2013/09/26 Re: [gmx-users] per mol of what? Tsjerk Wassenaar
2013/09/26 Re: [gmx-users] Writing periodic image coordinates. Tsjerk Wassenaar
2013/09/26 [gmx-users] segfault when running the alchemistry.org ethanol solvation free energy tutorial Christopher Neale
2013/09/26 Re: [gmx-users] trjcat after trjconv Tsjerk Wassenaar
2013/09/26 Re: [gmx-users] trjcat after trjconv Venkat Reddy
2013/09/26 [gmx-users] Writing periodic image coordinates. Kavyashree M
2013/09/26 [gmx-users] per mol of what? Ángel Piñeiro
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Dr. Vitaly Chaban
2013/09/26 Re: [gmx-users] trjcat after trjconv Tsjerk Wassenaar
2013/09/26 Re: [gmx-users] trjcat after trjconv Venkat Reddy
2013/09/26 Re: [gmx-users] Preprocessor statements Mark Abraham
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Steven Neumann
2013/09/26 Re: [gmx-users] Preprocessor statements Dr. Vitaly Chaban
2013/09/26 [gmx-users] Preprocessor statements grita
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Dr. Vitaly Chaban
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Justin Lemkul
2013/09/26 Re: [gmx-users] trjcat after trjconv Dr. Vitaly Chaban
2013/09/26 [gmx-users] trjcat after trjconv Venkat Reddy
2013/09/26 Re: [gmx-users] carbon nanotube - ifnite in length ? Dr. Vitaly Chaban
2013/09/26 [gmx-users] carbon nanotube - ifnite in length ? Steven Neumann
2013/09/25 Re: [gmx-users] Re: grompp for minimization: note & warning Mark Abraham
2013/09/25 Re: [gmx-users] calculating dihedral properties Justin Lemkul
2013/09/25 Re: [gmx-users] g_select help Justin Lemkul
2013/09/25 Re: [gmx-users] g_select help rajat desikan
2013/09/25 Re: [gmx-users] g_select help rajat desikan
2013/09/25 Re: [gmx-users] g_select help Teemu Murtola
2013/09/25 [gmx-users] calculating dihedral properties Anna MARABOTTI
2013/09/25 [gmx-users] g_select help rajat desikan
2013/09/25 Re: [gmx-users] force field for Titanium mohammad agha
2013/09/25 [gmx-users] Re: grompp for minimization: note & warning shahab shariati
2013/09/25 Re: [gmx-users] POSITION RESTRAIN ERROR Justin Lemkul
2013/09/25 Re: [gmx-users] force field for Titanium Justin Lemkul
2013/09/25 Re: [gmx-users] Re: Force Field for peptides and proteins rajat desikan
2013/09/25 [gmx-users] Re: Force Field for peptides and proteins fcarb
2013/09/25 [gmx-users] Re: periodic molecule Valentina
2013/09/25 Re: [gmx-users] confusion about implicint solvent Francesco
2013/09/25 [gmx-users] POSITION RESTRAIN ERROR MUSYOKA THOMMAS
2013/09/25 [gmx-users] force field for Titanium mohammad agha
2013/09/24 Re: [gmx-users] OPLS/AA + TIP5P, anybody? gigo
2013/09/24 Re: [gmx-users] ensemble selection Justin Lemkul
2013/09/24 Re: [gmx-users] The charge of cofactor and ligand Justin Lemkul
2013/09/24 Re: [gmx-users] Re: Fatal Error: Residue 'DMP' not found in residue topology database Justin Lemkul
2013/09/24 Re: [gmx-users] SPC with amber? Rafael I. Silverman y de la Vega
2013/09/24 Re: [gmx-users] SPC with amber? Mark Abraham
2013/09/24 [gmx-users] SPC with amber? Rafael I. Silverman y de la Vega
2013/09/24 Re: [gmx-users] OPLS/AA + TIP5P, anybody? Mark Abraham
2013/09/24 [gmx-users] OPLS/AA + TIP5P, anybody? gigo