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• 2011/11/10 [gmx-users] Disulphur bridge parameters alberto arrigoni
• 2011/11/10 Re: 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) Christoph Riplinger
• 2011/11/10 Re: [gmx-users] Parametrisation of the heteroatomic pdb Mark Abraham
• 2011/11/10 Re: [gmx-users] orca question and LA Micha Ben Achim Kunze
• 2011/11/10 Re: [gmx-users] Parametrisation of the heteroatomic pdb James Starlight
• 2011/11/10 Re: [gmx-users] Normal Mode Analysis Tsjerk Wassenaar
• 2011/11/10 Re: [gmx-users] Parametrisation of the heteroatomic pdb Mark Abraham
• 2011/11/10 Re: [gmx-users] Parametrisation of the heteroatomic pdb James Starlight
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis James Starlight
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis Tsjerk Wassenaar
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis James Starlight
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis Mark Abraham
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis James Starlight
• 2011/11/09 Re: [gmx-users] g_mindist -on Mark Abraham
• 2011/11/09 Re: [gmx-users] Re: sudden drop of minimal periodic distance Tsjerk Wassenaar
• 2011/11/09 Re: [gmx-users] how to do remd with different tabulated potentials Roland Schulz
• 2011/11/09 Re: Re: [gmx-users] remd with different potential at different temperature Roland Schulz
• 2011/11/09 [gmx-users] orca question and LA xi zhao
• 2011/11/09 [gmx-users] Re: sudden drop of minimal periodic distance Yun Shi
• 2011/11/09 [gmx-users] sudden drop of minimal periodic distance Yun Shi
• 2011/11/09 RE: [gmx-users] Re: PBC - Protein - ligand Dallas Warren
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis Mark Abraham
• 2011/11/09 Re: [gmx-users] where is Coul-LR? Mark Abraham
• 2011/11/09 Re: [gmx-users] How to list OPLS parameters Mark Abraham
• 2011/11/09 [gmx-users] Using CHARMM 36 for DPPC simulation Amit Choubey
• 2011/11/09 Re: [gmx-users] Error with pdb input Justin A. Lemkul
• 2011/11/09 Re: [gmx-users] Parametrisation of the heteroatomic pdb Justin A. Lemkul
• 2011/11/09 Re: [gmx-users] Parametrisation of the heteroatomic pdb James Starlight
• 2011/11/09 Re: [gmx-users] Normal Mode Analysis James Starlight
• 2011/11/09 Re: [gmx-users] where is Coul-LR? Yun Shi
• 2011/11/09 Re: [gmx-users] Error with pdb input Justin A. Lemkul
• 2011/11/09 Re: [gmx-users] barostat for gases Dr. Vitaly V. Chaban
• 2011/11/09 [gmx-users] Error with pdb input Lara Bunte
• 2011/11/09 Re: [gmx-users] MD structure analysis Justin A. Lemkul
• 2011/11/09 [gmx-users] MD structure analysis larif sofiene
• 2011/11/09 [gmx-users] PLUMED release 1.3 available Massimiliano Bonomi
• 2011/11/09 [gmx-users] How to list OPLS parameters Thomas Schlesier
• 2011/11/09 回复： [gmx-users] Re: 6. ORCA and dummy atom in the gromacs (xi zhao) xi zhao
• 2011/11/09 [gmx-users] about the velocity output from leap-frog integrators Ravi Bhadauria
• 2011/11/09 [gmx-users] g_mindist -on Steven Neumann
• 2011/11/09 [gmx-users] diffusion through nanotube Vijayaraj
• 2011/11/09 Re: [gmx-users] A question about deuteriu order parameters graph Javier Cerezo
• 2011/11/08 [gmx-users] Re: 6. ORCA and dummy atom in the gromacs (xi zhao) Gerrit Groenhof
• 2011/11/08 Re: [gmx-users] CygWin and Gromacs 4.5.5 Roland Schulz
• 2011/11/08 [gmx-users] ORCA and dummy atom in the gromacs xi zhao
• 2011/11/08 Re: [gmx-users] newbie question about GROMACS input files Mark Abraham
• 2011/11/08 Re: [gmx-users] newbie question about GROMACS input files Justin A. Lemkul
• 2011/11/08 [gmx-users] newbie question about GROMACS input files Markus K. Dahlgren
• 2011/11/08 Re: [gmx-users] CygWin and Gromacs 4.5.5 Mark Abraham
• 2011/11/08 Re: [gmx-users] where is Coul-LR? Justin A. Lemkul
• 2011/11/08 [gmx-users] where is Coul-LR? Yun Shi
• 2011/11/08 Re: [gmx-users] A question about deuteriu order parameters graph Alex Jemulin
• 2011/11/08 Re: [gmx-users] CygWin and Gromacs 4.5.5 bhf70
• 2011/11/08 Re: [gmx-users] barostat for gases Krzysztof Kuczera
• 2011/11/08 Re: [gmx-users] mdp file problem Justin A. Lemkul
• 2011/11/08 Re: [gmx-users] mdp file problem madhumita das
• 2011/11/08 [gmx-users] barostat for gases Dr. Vitaly V. Chaban
• 2011/11/08 Re: [gmx-users] how to do remd with different tabulated potentials Mark Abraham
• 2011/11/08 Re: 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) xi zhao
• 2011/11/08 Re: [gmx-users] CygWin and Gromacs 4.5.5 Szilárd Páll
• 2011/11/08 Re: [gmx-users] mdp file problem Justin A. Lemkul
• 2011/11/08 [gmx-users] how to do remd with different tabulated potentials 杜波
• 2011/11/08 [gmx-users] CygWin and Gromacs 4.5.5 bhf70
• 2011/11/08 [gmx-users] restart the mdrun with the checkpoint file xianqiang
• 2011/11/08 [gmx-users] mdp file problem madhumita das
• 2011/11/08 Re: [gmx-users] Re: PBC - Protein - ligand Steven Neumann
• 2011/11/08 Re: [gmx-users] Re: PBC - Protein - ligand Steven Neumann
• 2011/11/08 Re: [gmx-users] A question about deuteriu order parameters graph Javier Cerezo
• 2011/11/08 Re: 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) Micha Ben Achim Kunze
• 2011/11/08 Re:Re: [gmx-users] remd with different potential at different temperature 杜波
• 2011/11/07 Re: 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) xi zhao
• 2011/11/07 Re: [gmx-users] remd with different potential at different temperature Mark Abraham
• 2011/11/07 Re: [gmx-users] how to make topol.top file for mixed solution Mark Abraham
• 2011/11/07 [gmx-users] remd with different potential at different temperature 杜波
• 2011/11/07 Re: [gmx-users] how to make topol.top file for mixed solution cuong nguyen
• 2011/11/07 [gmx-users] A question about deuteriu order parameters graph Alex
• 2011/11/07 [gmx-users] Sorry for posting twice Alex
• 2011/11/07 [gmx-users] Problems with deuterium graphs Alex
• 2011/11/07 Re: [gmx-users] B-factor to large? Input for TLS Mark Abraham
• 2011/11/07 Re: [gmx-users] g_hbond -hbn Justin A. Lemkul
• 2011/11/07 [gmx-users] g_hbond -hbn Yao Yao
• 2011/11/07 Re: [gmx-users] gromacs query for force field in vaccum and liquid Mark Abraham
• 2011/11/07 Re: [gmx-users] PBC - Protein - ligand Mark Abraham
• 2011/11/07 [gmx-users] Water Liquid-vapor interface: Negative surface tension by virial formula? WU Yanbin
• 2011/11/07 Re: [gmx-users] Re: PBC - Protein - ligand Justin A. Lemkul
• 2011/11/07 [gmx-users] Re: problem while running production md Dr. Vitaly V. Chaban
• 2011/11/07 [gmx-users] gromacs query for force field in vaccum and liquid Anushree Tripathi
• 2011/11/07 [gmx-users] Re: PBC - Protein - ligand Steven Neumann
• 2011/11/07 Re: [gmx-users] PBC - Protein - ligand Tsjerk Wassenaar
• 2011/11/07 [gmx-users] lipid bilayer and umbrella sampling Chris Neale
• 2011/11/07 Re: [gmx-users] problem while running production md Justin A. Lemkul
• 2011/11/07 [gmx-users] problem while running production md ansuman
• 2011/11/07 Re: [gmx-users] request for comments on profile.xvg (PMF) courve Justin A. Lemkul
• 2011/11/07 Re: [gmx-users] Re: umbrella sampling with "pull=constraint" Justin A. Lemkul
• 2011/11/07 Re: [gmx-users] lipid bilayer and umbrella sampling Justin A. Lemkul
• 2011/11/07 [gmx-users] request for comments on profile.xvg (PMF) courve Przemek Bartha
• 2011/11/07 [gmx-users] Re: umbrella sampling with "pull=constraint" Vijayaraj
• 2011/11/07 Re: [gmx-users] PBC - Protein - ligand Steven Neumann
• 2011/11/07 [gmx-users] lipid bilayer and umbrella sampling Giovanni Mancini
• 2011/11/07 Re: [gmx-users] Re: umbrella sampling with "pull=constraint" Justin A. Lemkul
• 2011/11/07 [gmx-users] Re: umbrella sampling with "pull=constraint" Vijayaraj
• 2011/11/07 [gmx-users] Re: umbrella sampling with "pull=constraint" Vijayaraj
• 2011/11/07 Re: 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) Micha Ben Achim Kunze
• 2011/11/07 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) xi zhao
• 2011/11/07 回复： [gmx-users] Re 1. orca and qm/mm (xi zhao) xi zhao
• 2011/11/07 Re: [gmx-users] PBC - Protein - ligand Justin A. Lemkul
• 2011/11/07 Re: [gmx-users] PBC - Protein - ligand Tsjerk Wassenaar
• 2011/11/07 [gmx-users] Re:umbrella sampling with "pull=constraint" Thomas Schlesier
• 2011/11/07 [gmx-users] PBC - Protein - ligand Steven Neumann
• 2011/11/07 [gmx-users] umbrella sampling with "pull=constraint" chris . neale
• 2011/11/07 [gmx-users] Re 1. orca and qm/mm (xi zhao) Gerrit Groenhof
• 2011/11/07 Re: [gmx-users] orca and qm/mm Micha Ben Achim Kunze
• 2011/11/07 [gmx-users] umbrella sampling with "pull=constraint" Vijayaraj
• 2011/11/07 Re: [gmx-users] orca and qm/mm Javier Cerezo
• 2011/11/07 [gmx-users] orca and qm/mm xi zhao
• 2011/11/07 [gmx-users] orca and qm/mm xi zhao
• 2011/11/07 Re: [gmx-users] refcoord_scaling Mark Abraham
• 2011/11/07 Re: [gmx-users] how to make topol.top file for mixed solution Justin A. Lemkul
• 2011/11/06 [gmx-users] refcoord_scaling khuchtumur bumerdene
• 2011/11/06 Re: [gmx-users] how to make topol.top file for mixed solution cuong nguyen
• 2011/11/06 Re: [gmx-users] Regarding Table Extension Justin A. Lemkul
• 2011/11/06 Re: [gmx-users] how to make topol.top file for mixed solution Justin A. Lemkul
• 2011/11/06 Re: [gmx-users] how to make topol.top file for mixed solution Justin A. Lemkul
• 2011/11/06 [gmx-users] how to make topol.top file for mixed solution cuong nguyen
• 2011/11/06 Re: [gmx-users] Regarding Table Extension cuong nguyen
• 2011/11/06 RE: [gmx-users] Regarding Table Extension Dallas Warren
• 2011/11/06 [gmx-users] hi X Rules
• 2011/11/06 Re: [gmx-users] Shell MD David van der Spoel
• 2011/11/06 [gmx-users] Shell MD yiran870804
• 2011/11/05 Re: [gmx-users] Gromacs error message Sanku M
• 2011/11/05 [gmx-users] Gromacs error message Salvatore Guccione
• 2011/11/05 Re: [gmx-users] fudge QQ values Justin A. Lemkul
• 2011/11/05 [gmx-users] fudge QQ values Yun Shi
• 2011/11/05 [gmx-users] GB implicit solvent - non polar solvation forces Hari Shankar M
• 2011/11/05 Re: [gmx-users] pressure scaling more than 1% Justin A. Lemkul
• 2011/11/05 Re: [gmx-users] cutting a trajectory and continuing from a part of it Justin A. Lemkul
• 2011/11/05 [gmx-users] cutting a trajectory and continuing from a part of it Sajad Ahrari
• 2011/11/05 [gmx-users] pressure scaling more than 1% 杜波
• 2011/11/05 [gmx-users] Regarding Table Extension Ravi Kumar Venkatraman
• 2011/11/04 Re: [gmx-users] How to calculate work Sai Kumar Ramadugu
• 2011/11/04 [gmx-users] How to calculate work Sanku M
• 2011/11/04 [gmx-users] B-factor to large? Input for TLS Henri Mone
• 2011/11/04 Re: [gmx-users] Regarding Extension of the potential lookup tables beyond the cut-of Mark Abraham
• 2011/11/04 Re: [gmx-users] Regarding Extension of the potential lookup tables beyond the cut-of Justin A. Lemkul
• 2011/11/04 Re: [gmx-users] query for energy minimization in solvent Justin A. Lemkul
• 2011/11/04 [gmx-users] query for energy minimization in solvent Anushree Tripathi
• 2011/11/04 Re: [gmx-users] PMF when pulling in -Z direction Justin A. Lemkul
• 2011/11/04 Re: [gmx-users] PMF when pulling in -Z direction nahren manuel
• 2011/11/04 Re: [gmx-users] Thioester bond problem Yun Shi
• 2011/11/04 Re: [gmx-users] PMF when pulling in -Z direction Justin A. Lemkul
• 2011/11/04 [gmx-users] Regarding Extension of the potential lookup tables beyond the cut-of Ravi Kumar Venkatraman
• 2011/11/04 Re: [gmx-users] Thioester bond problem Justin A. Lemkul
• 2011/11/04 Re: [gmx-users] Gromacs query for vaccum medium Justin A. Lemkul
• 2011/11/04 [gmx-users] PMF when pulling in -Z direction nahren manuel
• 2011/11/04 Re: [gmx-users] Steered MD in reverse direction? Sanku M
• 2011/11/04 [gmx-users] Thioester bond problem alberto arrigoni
• 2011/11/04 Re: [gmx-users] Gromacs query for vaccum medium Anushree Tripathi
• 2011/11/04 Re: [gmx-users] Regarding Extension of the potential lookup tables Mark Abraham
• 2011/11/04 Re: [gmx-users] Regarding error in ion neutralization step Mark Abraham
• 2011/11/04 [gmx-users] Regarding error in ion neutralization step kirubakaran palani
• 2011/11/04 [gmx-users] Regarding error in ion neutralization step kirubakaran palani
• 2011/11/04 [gmx-users] Regarding Extension of the potential lookup tables Ravi Kumar Venkatraman
• 2011/11/04 [gmx-users] Shell MD yiran870804
• 2011/11/04 [gmx-users] Shell MD yiran870804
• 2011/11/04 [gmx-users] FEP instability David van der Spoel
• 2011/11/03 Re: [gmx-users] Regarding Minimization Mark Abraham
• 2011/11/03 [gmx-users] Regarding Minimization Ravi Kumar Venkatraman
• 2011/11/03 Re: [gmx-users] Steered MD in reverse direction? Sanku M
• 2011/11/03 Re: [gmx-users] Steered MD in reverse direction? Justin A. Lemkul
• 2011/11/03 [gmx-users] Steered MD in reverse direction? Sanku M
• 2011/11/03 Re: [gmx-users] segmentation fault from power6 kernel Fabio AFFINITO
• 2011/11/03 Re: [gmx-users] www.gromacs.org down? Justin A. Lemkul
• 2011/11/03 [gmx-users] www.gromacs.org down? mu xiaojia
• 2011/11/03 Re: [gmx-users] Gromacs query for vaccum medium Mark Abraham
• 2011/11/03 [gmx-users] Gromacs query for vaccum medium Anushree Tripathi
• 2011/11/03 [gmx-users] source of opls Mg2+ parameters? chris . neale
• 2011/11/03 Re: [gmx-users] segmentation fault from power6 kernel Mark Abraham
• 2011/11/03 Re: [gmx-users] Simulation of membrane protein Mark Abraham
• 2011/11/03 Re: [gmx-users] umbrella sampling restart Justin A. Lemkul
• 2011/11/03 [gmx-users] umbrella sampling restart Vijayaraj
• 2011/11/03 Re: [gmx-users] Energy Minimisation Justin A. Lemkul
• 2011/11/03 RE: [gmx-users] Simulation of membrane protein Kukol, Andreas
• 2011/11/03 Re: [gmx-users] Small molecule - CHARMM EGY
• 2011/11/03 Re: [gmx-users] Simulation of membrane protein James Starlight
• 2011/11/03 [gmx-users] Small molecule - CHARMM Steven Neumann
• 2011/11/03 Re: [gmx-users] source of opls Mg2+ parameters? Thomas Piggot
• 2011/11/03 [gmx-users] Energy Minimisation Ravi Kumar Venkatraman
• 2011/11/03 Re: [gmx-users] segmentation fault from power6 kernel Fabio Affinito
• 2011/11/03 Re: [gmx-users] remd- Function not implemented Mark Abraham
• 2011/11/03 [gmx-users] remd- Function not implemented 杜波
• 2011/11/02 [gmx-users] source of opls Mg2+ parameters? chris . neale
• 2011/11/02 Re: [gmx-users] segmentation fault from power6 kernel Mark Abraham
• 2011/11/02 Re: [gmx-users] how to make top and gro file for acid hexanoic Justin A. Lemkul
• 2011/11/02 Re: [gmx-users] how to make top and gro file for acid hexanoic Mark Abraham
• 2011/11/02 [gmx-users] how to make top and gro file for acid hexanoic cuong nguyen
• 2011/11/02 Re: [gmx-users] grompp: "invalid bond type" error Justin A. Lemkul
• 2011/11/02 Re: [gmx-users] grompp: "invalid bond type" error Olivia Waring
• 2011/11/02 Re: [gmx-users] grompp: "invalid bond type" error Justin A. Lemkul
• 2011/11/02 Re: [gmx-users] Re: Phosphate esters Justin A. Lemkul
• 2011/11/02 [gmx-users] segmentation fault from power6 kernel Fabio AFFINITO

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