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• • Re: [gmx-users] RMSD shahid nayeem
• [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION arun kumar
  • Re: [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION Justin A. Lemkul
  • [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION arun kumar
  • Re: [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION sai nitin
  • Re: [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION sai nitin
  • Re: [gmx-users] ERRORS IN PROTEIN-LIGAND COMPLEX SIMULATION Justin A. Lemkul
• [gmx-users] N-Acetylglucosamine (NAG) in OPLS-AA Ehud Schreiber
• [gmx-users] Re: Positive potential energy for TFE solvent Harpreet Basra
  • [gmx-users] Re: Positive potential energy for TFE solvent Harpreet Basra
  • Re: [gmx-users] Re: Positive potential energy for TFE solvent Mark Abraham
• [gmx-users] how to select option for genion command automatically? Liu, Liang
  • Re: [gmx-users] how to select option for genion command automatically? Justin A. Lemkul
  • Re: [gmx-users] how to select option for genion command automatically? Terry
  • Re: [gmx-users] how to select option for genion command automatically? Liu, Liang
• [gmx-users] RE: Questionable van der waals volumes from g_sas Dallas Warren
  • [gmx-users] RE: Questionable van der waals volumes from g_sas Dallas Warren
• [gmx-users] Questionable van der waals volumes from g_sas Jacob Alan Spooner
• [gmx-users] Query on restraining center of mass of a protein Sanku M
  • Re: [gmx-users] Query on restraining center of mass of a protein Mark Abraham
• [gmx-users] import force field Liu, Liang
  • Re: [gmx-users] import force field Mark Abraham
  • Re: [gmx-users] import force field Liu, Liang
  • Re: [gmx-users] import force field Mark Abraham
• [gmx-users] GMX to remove clashes? Liu, Liang
  • Re: [gmx-users] GMX to remove clashes? Justin A. Lemkul
  • Re: [gmx-users] GMX to remove clashes? Liu, Liang
  • Re: [gmx-users] GMX to remove clashes? Justin A. Lemkul
  • Re: [gmx-users] GMX to remove clashes? Liu, Liang
  • Re: [gmx-users] GMX to remove clashes? Justin A. Lemkul
• [gmx-users] the force constant in constant speed umbrella pulling Yun Shi
• [gmx-users] Units of Buckingham potential xiaojing gong
  • Re: [gmx-users] Units of Buckingham potential Mark Abraham
  • Re: [gmx-users] Units of Buckingham potential xiaojing gong
  • Re: [gmx-users] Units of Buckingham potential xiaojing gong
  • Re: [gmx-users] Units of Buckingham potential Mark Abraham
  • Re: [gmx-users] Units of Buckingham potential xiaojing gong
  • Re: [gmx-users] Units of Buckingham potential Mark Abraham
  • Re: [gmx-users] Units of Buckingham potential xiaojing gong
  • Re: [gmx-users] Units of Buckingham potential xiaojing gong
• [gmx-users] The equilibrium before REMD simulations ÏéÇ« ¿×
  • Re: [gmx-users] The equilibrium before REMD simulations Justin A. Lemkul
  • Re: [gmx-users] The equilibrium before REMD simulations ÏéÇ« ¿×
  • Re: [gmx-users] The equilibrium before REMD simulations Justin A. Lemkul
  • Re: [gmx-users] The equilibrium before REMD simulations Mark Abraham
  • Re: [gmx-users] The equilibrium before REMD simulations ÏéÇ« ¿×
  • Re: [gmx-users] The equilibrium before REMD simulations Mark Abraham
• [gmx-users] mpirun with remd 杜波
  • Re: [gmx-users] mpirun with remd Mark Abraham
• [gmx-users] Re: orca and Segmentation fault (xi zhao) Gerrit Groenhof
• [gmx-users] Could g_order be used to calculate the order parameters for the two bonds C1'-H1', C3'-H3' in DNA? jnsong
• [gmx-users] Atomtype 'CR' not found radhika jaswal
  • Re: [gmx-users] Atomtype 'CR' not found Mark Abraham
• [gmx-users] Problem about simulation at high temperature and ratio of sencondary stuctures 蕭翔駿
  • Re: [gmx-users] Problem about simulation at high temperature and ratio of sencondary stuctures Mark Abraham
• [gmx-users] orca and Segmentation fault xi zhao
  • Re: [gmx-users] orca and Segmentation fault Christoph Riplinger
  • Re: [gmx-users] orca and Segmentation fault xi zhao
• [gmx-users] Time unit issue with g_anaeig Kei Sit
  • Re: [gmx-users] Time unit issue with g_anaeig Mark Abraham
  • RE: [gmx-users] Time unit issue with g_anaeig Kei Sit
  • RE: [gmx-users] Time unit issue with g_anaeig Kei Sit
• [gmx-users] No locks available. lina
  • Re: [gmx-users] No locks available. Roland Schulz
  • Re: [gmx-users] No locks available. lina
  • Re: [gmx-users] No locks available. Roland Schulz
  • Re: [gmx-users] No locks available. lina
• [gmx-users] remd :One of the processes started by mpirun has exited with a nonzero exit code. 杜波
  • Re: [gmx-users] remd :One of the processes started by mpirun has exited with a nonzero exit code. Mark Abraham
• [gmx-users] Topology dihedral or improper dihedral XUEMING TANG
  • Re: [gmx-users] Topology dihedral or improper dihedral lina
  • Re: [gmx-users] Topology dihedral or improper dihedral XUEMING TANG
  • Re: [gmx-users] Topology dihedral or improper dihedral Justin A. Lemkul
• [gmx-users] several itp Алексей Раевский
  • Re: [gmx-users] several itp Justin A. Lemkul
  • Re: [gmx-users] several itp Mark Abraham
• [gmx-users] Remove water from membrane protein Alex
  • Re: [gmx-users] Remove water from membrane protein Justin A. Lemkul
• [gmx-users] picking out resident water molecule? Yun Shi
  • Re: [gmx-users] picking out resident water molecule? Justin A. Lemkul
• [gmx-users] UNK not found in residue topology Janowicz, Adrianna C.
  • Re: [gmx-users] UNK not found in residue topology Justin A. Lemkul
  • [gmx-users] UNK not found in residue topology Janowicz, Adrianna C.
  • Re: [gmx-users] UNK not found in residue topology Justin A. Lemkul
• [gmx-users] g_wham and entropic subtraction Sanku M
  • Re: [gmx-users] g_wham and entropic subtraction David van der Spoel
• [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Christoph Riplinger
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Justin A. Lemkul
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Justin A. Lemkul
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM swati patel
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Christoph Riplinger
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Justin A. Lemkul
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
  • Re: [gmx-users] GROMACS/ORCA QMMM Jose Tusell
• [gmx-users] pull_distance Алексей Раевский
  • Re: [gmx-users] pull_distance Justin A. Lemkul
• [gmx-users] Charged wall Steven Neumann
  • [gmx-users] Charged wall chris . neale
• [gmx-users] Insertion of the protein into membrane with Gmembed James Starlight
  • Re: [gmx-users] Insertion of the protein into membrane with Gmembed Justin A. Lemkul
• [gmx-users] Positive potential energy for TFE solvent Harpreet Basra
  • Re: [gmx-users] Positive potential energy for TFE solvent Mark Abraham
  • Re: [gmx-users] Positive potential energy for TFE solvent Harpreet Basra
  • Re: [gmx-users] Positive potential energy for TFE solvent Mark Abraham
• [gmx-users] Re: Problems with g_membed tools LindaSong
  • Re: [gmx-users] Re: Problems with g_membed tools Mark Abraham
  • Re: [gmx-users] Re: Problems with g_membed tools LindaSong
  • Re: [gmx-users] Re: Problems with g_membed tools Mark Abraham
  • Re: [gmx-users] Re: Problems with g_membed tools Wanling Song
• [gmx-users] Re: sudden drop of minimal periodic distance Yun Shi
  • Re: [gmx-users] Re: sudden drop of minimal periodic distance Tsjerk Wassenaar
• [gmx-users] gromacs/mopac compilation: linking libmopac Javier Cerezo
  • Re: [gmx-users] gromacs/mopac compilation: linking libmopac Javier Cerezo
• [gmx-users] Problems with g_membed tools LindaSong
  • Re: [gmx-users] Problems with g_membed tools Mark Abraham
• Re: [gmx-users] Running QM/MM in parallel (ORCA/GMX) Christoph Riplinger
  • Re: [gmx-users] Running QM/MM in parallel (ORCA/GMX) Micha Ben Achim Kunze
• [gmx-users] what's the meaning of g_msd's -trestart 杜波
  • Re: [gmx-users] what's the meaning of g_msd's -trestart Justin A. Lemkul
• [gmx-users] Converting of itp topology files James Starlight
  • Re: [gmx-users] Converting of itp topology files Mark Abraham
  • Re: [gmx-users] Converting of itp topology files James Starlight
  • Re: [gmx-users] Converting of itp topology files Mark Abraham
• [gmx-users] Disulphur bridge parameters alberto arrigoni
  • Re: [gmx-users] Disulphur bridge parameters Mark Abraham
• [gmx-users] orca question and LA xi zhao
  • Re: [gmx-users] orca question and LA Micha Ben Achim Kunze
  • Re: [gmx-users] orca question and LA xi zhao
  • Re: [gmx-users] orca question and LA Micha Ben Achim Kunze
  • Re: [gmx-users] orca question and LA xi zhao
• [gmx-users] sudden drop of minimal periodic distance Yun Shi
  • [gmx-users] Re: sudden drop of minimal periodic distance Yun Shi
  • Re: [gmx-users] Re: sudden drop of minimal periodic distance Tsjerk Wassenaar
• [gmx-users] Using CHARMM 36 for DPPC simulation Amit Choubey
  • [gmx-users] Re: Using CHARMM 36 for DPPC simulation Amit Choubey
• [gmx-users] Error with pdb input Lara Bunte
  • Re: [gmx-users] Error with pdb input Justin A. Lemkul
  • Re: [gmx-users] Error with pdb input Justin A. Lemkul
• [gmx-users] MD structure analysis larif sofiene
  • Re: [gmx-users] MD structure analysis Justin A. Lemkul
• [gmx-users] PLUMED release 1.3 available Massimiliano Bonomi
• [gmx-users] How to list OPLS parameters Thomas Schlesier
  • Re: [gmx-users] How to list OPLS parameters Mark Abraham
• [gmx-users] about the velocity output from leap-frog integrators Ravi Bhadauria
  • Re: [gmx-users] about the velocity output from leap-frog integrators Mark Abraham
  • Re: [gmx-users] about the velocity output from leap-frog integrators Ravi Bhadauria
• [gmx-users] g_mindist -on Steven Neumann
  • Re: [gmx-users] g_mindist -on Mark Abraham
• [gmx-users] diffusion through nanotube Vijayaraj
• [gmx-users] Re: 6. ORCA and dummy atom in the gromacs (xi zhao) Gerrit Groenhof
  • 回复： [gmx-users] Re: 6. ORCA and dummy atom in the gromacs (xi zhao) xi zhao
• [gmx-users] ORCA and dummy atom in the gromacs xi zhao
• [gmx-users] newbie question about GROMACS input files Markus K. Dahlgren
  • Re: [gmx-users] newbie question about GROMACS input files Justin A. Lemkul
  • Re: [gmx-users] newbie question about GROMACS input files Mark Abraham
• [gmx-users] where is Coul-LR? Yun Shi
  • Re: [gmx-users] where is Coul-LR? Justin A. Lemkul
  • Re: [gmx-users] where is Coul-LR? Yun Shi
  • Re: [gmx-users] where is Coul-LR? Mark Abraham
• [gmx-users] barostat for gases Dr. Vitaly V. Chaban
  • Re: [gmx-users] barostat for gases Krzysztof Kuczera
  • Re: [gmx-users] barostat for gases Dr. Vitaly V. Chaban
• [gmx-users] how to do remd with different tabulated potentials 杜波
  • Re: [gmx-users] how to do remd with different tabulated potentials Mark Abraham
  • Re: [gmx-users] how to do remd with different tabulated potentials Roland Schulz
• [gmx-users] restart the mdrun with the checkpoint file xianqiang
• [gmx-users] mdp file problem madhumita das
  • [gmx-users] CygWin and Gromacs 4.5.5 bhf70
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Szilárd Páll
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 bhf70
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Mark Abraham
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Szilárd Páll
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Mirco Wahab
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Mirco Wahab
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Roland Schulz
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Mr Bernard Ramos
  • Re: [gmx-users] CygWin and Gromacs 4.5.5 Roland Schulz
  • Re: [gmx-users] mdp file problem Justin A. Lemkul
  • Re: [gmx-users] mdp file problem madhumita das
  • Re: [gmx-users] mdp file problem Justin A. Lemkul
  • [gmx-users] Re: mdp file problem madhumita das
  • Re: [gmx-users] Re: mdp file problem Justin A. Lemkul
• Re:Re: [gmx-users] remd with different potential at different temperature 杜波
  • Re: Re: [gmx-users] remd with different potential at different temperature Roland Schulz
• [gmx-users] remd with different potential at different temperature 杜波
  • Re: [gmx-users] remd with different potential at different temperature Mark Abraham
• [gmx-users] A question about deuteriu order parameters graph Alex
  • Re: [gmx-users] A question about deuteriu order parameters graph Javier Cerezo
  • Re: [gmx-users] A question about deuteriu order parameters graph Alex Jemulin
  • Re: [gmx-users] A question about deuteriu order parameters graph Javier Cerezo
• [gmx-users] Sorry for posting twice Alex
• [gmx-users] Problems with deuterium graphs Alex

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