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• [gmx-users] ACE residues at positions other than resnr=1 possibly leading to non-sequential residue numbering by editconf and trjconv Christopher Neale
• [gmx-users] Selectively minimze Hydrogens Kartheek
  • Re: [gmx-users] Selectively minimze Hydrogens Justin A. Lemkul
• [gmx-users] Equilibrating Water around the Molecule Lara Bunte
  • Re: [gmx-users] Equilibrating Water around the Molecule Justin A. Lemkul
• [gmx-users] CHARMM-27 & CHARMM-36 Shima Arasteh
  • Re: [gmx-users] CHARMM-27 & CHARMM-36 Felipe Merino
• [gmx-users] One molculetype for 3 proteins Steven Neumann
  • [gmx-users] Re: One molculetype for 3 proteins Steven Neumann
  • Re: [gmx-users] Re: One molculetype for 3 proteins Tsjerk Wassenaar
  • Re: [gmx-users] Re: One molculetype for 3 proteins Steven Neumann
  • Re: [gmx-users] Re: One molculetype for 3 proteins Tsjerk Wassenaar
  • [gmx-users] Re: One molculetype for 3 proteins Francesca
  • Re: [gmx-users] Re: One molculetype for 3 proteins Tsjerk Wassenaar
  • Re: [gmx-users] Re: One molculetype for 3 proteins Steven Neumann
  • [gmx-users] Re: One molculetype for 3 proteins Francesca
• [gmx-users] trjconv_snapshot Turgay Cakmak
  • Re: [gmx-users] trjconv_snapshot rama david
  • [gmx-users] trjconv_snapshot Turgay Cakmak
  • Re: [gmx-users] trjconv_snapshot rama david
  • Re: [gmx-users] trjconv_snapshot Justin A. Lemkul
• [gmx-users] Protein-ligand interactions in implicit water Андрей Гончар
• [gmx-users] Distance Restraints of 3 atoms Steven Neumann
• [gmx-users] Re: Regarding error. vivek sharma
• [gmx-users] Tabulated potential 1-4 interactions mohan maruthi sena
• [gmx-users] ptn ptn interaction rethina malliga
  • Re: [gmx-users] ptn ptn interaction Justin A. Lemkul
• [gmx-users] Regarding gromacs manual. Seera Suryanarayana
  • Re: [gmx-users] Regarding gromacs manual. Chandan Choudhury
• [gmx-users] Restarting a run Shyno Mathew
  • Re: [gmx-users] Restarting a run Justin A. Lemkul
• [gmx-users] Gromacs installed , but no directory /bin under it aiqunhuang
  • Re: [gmx-users] Gromacs installed , but no directory /bin under it Justin A. Lemkul
  • Re: [gmx-users] Gromacs installed , but no directory /bin under it Justin A. Lemkul
  • Re: [gmx-users] Gromacs installed , but no directory /bin under it Justin A. Lemkul
• [gmx-users] Protein moves out of box after several simulations, how to fix it? Marc Hömberger
  • Re: [gmx-users] Protein moves out of box after several simulations, how to fix it? Justin A. Lemkul
• [gmx-users] BAR and non-bonded tables revisited jrustad
• [gmx-users] RE: Justin umbrella sampling tutorial...... (rama david) Du Jiangfeng (BIOCH)
  • Re: [gmx-users] RE: Justin umbrella sampling tutorial...... (rama david) rama david
• [gmx-users] RE: Re: Wierd results from Umbrella sampling (Thomas Schlesier) Du Jiangfeng (BIOCH)
• [gmx-users] Justin umbrella sampling tutorial...... rama david
  • Re: [gmx-users] Justin umbrella sampling tutorial...... Justin A. Lemkul
  • Re: [gmx-users] Justin umbrella sampling tutorial...... rama david
  • Re: [gmx-users] Justin umbrella sampling tutorial...... Justin A. Lemkul
  • Re: [gmx-users] Justin umbrella sampling tutorial...... rama david
  • Re: [gmx-users] Justin umbrella sampling tutorial...... Justin A. Lemkul
  • Re: [gmx-users] Justin umbrella sampling tutorial...... rama david
  • Re: [gmx-users] Justin umbrella sampling tutorial...... Justin A. Lemkul
  • Re: [gmx-users] Justin umbrella sampling tutorial...... rama david
  • Re: [gmx-users] Justin umbrella sampling tutorial...... Justin A. Lemkul
• [gmx-users] g_polystat Leandro
• [gmx-users] Re: Wierd results from Umbrella sampling Thomas Schlesier
• [gmx-users] Fatal error: atom C not found in buiding block 19NH2 while combining tdb and rtp ankita oindrila
  • Re: [gmx-users] Fatal error: atom C not found in buiding block 19NH2 while combining tdb and rtp Justin A. Lemkul
• [gmx-users] H3 of NPRO missing in AMBER force field SebastianWaltz
  • Re: [gmx-users] H3 of NPRO missing in AMBER force field Justin A. Lemkul
  • Re: [gmx-users] H3 of NPRO missing in AMBER force field SebastianWaltz
  • Re: [gmx-users] H3 of NPRO missing in AMBER force field Justin A. Lemkul
• [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul)(Thomas Schlesier) Du Jiangfeng (BIOCH)
• [gmx-users] Gromacs files to simulate SiO2 film Alexey Lyulin
  • [gmx-users] Re: Gromacs files to simulate SiO2 film jrustad
  • Re: [gmx-users] Re: Gromacs files to simulate SiO2 film Alexey Lyulin
  • [gmx-users] Re: Gromacs files to simulate SiO2 film jrustad
• [gmx-users] g_rms -bm Kowsar Bagherzadeh
  • [gmx-users] g_rms -bm Kowsar Bagherzadeh
  • Re: [gmx-users] g_rms -bm Justin A. Lemkul
  • Re: [gmx-users] g_rms -bm Kowsar Bagherzadeh
• [gmx-users] Chemical Potential Fabian Casteblanco
  • RE: [gmx-users] Chemical Potential Marzinek, Jan
  • [gmx-users] Re: Chemical Potential Fabian Casteblanco
• [gmx-users] RE: LIE methodology check Tom Dupree
  • Re: [gmx-users] RE: LIE methodology check Mark Abraham
• [gmx-users] Distance restraints not working Thomas Grant
  • Re: [gmx-users] Distance restraints not working Justin A. Lemkul
  • [gmx-users] Re: Distance restraints not working tdgrant1
  • Re: [gmx-users] Re: Distance restraints not working Justin A. Lemkul
• [gmx-users] unable to generate gro file -(only c alpha atoms -named as CB) mohan maruthi sena
  • Re: [gmx-users] unable to generate gro file -(only c alpha atoms -named as CB) Justin A. Lemkul
• [gmx-users] PRODRG server issues rainy908
  • Re: [gmx-users] PRODRG server issues Justin A. Lemkul
• [gmx-users] gromacs input file Muyi Xu
  • Re: [gmx-users] gromacs input file Mark Abraham
• [gmx-users] Re: Wierd results from Umbrella sampling, (Justin A. Lemkul) Thomas Schlesier
  • Re: [gmx-users] Re: Wierd results from Umbrella sampling, (Justin A. Lemkul) Justin A. Lemkul
• [gmx-users] multiple dihedral definition and free energy calculation francesco oteri
• [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) (Thomas Schlesier) Du Jiangfeng (BIOCH)
  • [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) (Thomas Schlesier) Du Jiangfeng (BIOCH)
• [gmx-users] Re: Wierd results from Umbrella, sampling (Justin A. Lemkul) Thomas Schlesier
• [gmx-users] problem with solvent box in gromacs 4.5.4 patrick wintrode
  • Re: [gmx-users] problem with solvent box in gromacs 4.5.4 mu xiaojia
  • Re: [gmx-users] problem with solvent box in gromacs 4.5.4 Justin A. Lemkul
  • Re: [gmx-users] problem with solvent box in gromacs 4.5.4 Tsjerk Wassenaar
• [gmx-users] RE: Re: RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) Du Jiangfeng (BIOCH)
• [gmx-users] g_sorient with -v23 option Dmitri Dubov
• [gmx-users] Installation of GROMACS on server Shima Arasteh
  • Re: [gmx-users] Installation of GROMACS on server Javier Cerezo
  • Re: [gmx-users] Installation of GROMACS on server Anirban
  • Fw: [gmx-users] Installation of GROMACS on server Shima Arasteh
  • Re: Fw: [gmx-users] Installation of GROMACS on server Javier Cerezo
• [gmx-users] Large forces on HIS hydrogen atoms patrick wintrode
  • Re: [gmx-users] Large forces on HIS hydrogen atoms Justin A. Lemkul
• [gmx-users] concatenate log files Andreas Zink
  • Re: [gmx-users] concatenate log files Justin A. Lemkul
• [gmx-users] Coarse grained for Proteins Steven Neumann
  • Re: [gmx-users] Coarse grained for Proteins XAvier Periole
• [gmx-users] Polarization term in non-boded potential - Regd ramesh cheerla
• [gmx-users] Protein_Protein Simulation -reg rethina malliga
• [gmx-users] top/itp file to show parameters explicitly Alan
  • Re: [gmx-users] top/itp file to show parameters explicitly Javier Cerezo
  • Re: [gmx-users] top/itp file to show parameters explicitly Justin A. Lemkul
  • Re: [gmx-users] top/itp file to show parameters explicitly Alan
  • Re: [gmx-users] top/itp file to show parameters explicitly Justin A. Lemkul
  • Re: [gmx-users] top/itp file to show parameters explicitly Alan
  • Re: [gmx-users] top/itp file to show parameters explicitly Mark Abraham
• [gmx-users] constraints hbonds with 4.6 SebastianWaltz
  • RE: [gmx-users] constraints hbonds with 4.6 Berk Hess
• [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) Du Jiangfeng (BIOCH)
  • Re: [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) Justin A. Lemkul
  • [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) Du Jiangfeng (BIOCH)
  • Re: [gmx-users] RE: Re: Wierd results from Umbrella sampling (Justin A. Lemkul) Justin A. Lemkul
• [gmx-users] REgarding redefined error. Seera Suryanarayana
• [gmx-users] Reg trr file Ramya LN
  • Re: [gmx-users] Reg trr file Justin A. Lemkul
  • Re: [gmx-users] Reg trr file Ramya LN
  • Re: [gmx-users] Reg trr file Justin A. Lemkul
• [gmx-users] LIE methodology check (mdrun -rerun cutoffs and box vectors) Tom Dupree
• [gmx-users] characterising monolayer molecule rotation Michael Bernard Plazzer
• [gmx-users] MARTINI parameters for dodecyl maltoside (DDM) francesco oteri
  • Re: [gmx-users] MARTINI parameters for dodecyl maltoside (DDM) Dariush Mohammadyani
  • Re: [gmx-users] MARTINI parameters for dodecyl maltoside (DDM) francesco oteri
  • Re: [gmx-users] MARTINI parameters for dodecyl maltoside (DDM) Dariush Mohammadyani
  • Re: [gmx-users] MARTINI parameters for dodecyl maltoside (DDM) XAvier Periole
• [gmx-users] restart REMD Tomek Wlodarski
  • Re: [gmx-users] restart REMD francesco oteri
  • Re: [gmx-users] restart REMD Tomek Wlodarski
  • Re: [gmx-users] restart REMD mu xiaojia
  • Re: [gmx-users] restart REMD Tomek Wlodarski
  • Re: [gmx-users] restart REMD Mark Abraham
• [gmx-users] parameters of a residue Shima Arasteh
• [gmx-users] constraints between protein ligand - metal chelation R.S.K.Vijayan
  • Re: [gmx-users] constraints between protein ligand - metal chelation Peter C. Lai
  • Re: [gmx-users] constraints between protein ligand - metal chelation R.S.K.Vijayan
  • Re: [gmx-users] constraints between protein ligand - metal chelation francesco oteri
  • Re: [gmx-users] constraints between protein ligand - metal chelation Peter C. Lai
  • Re: [gmx-users] constraints between protein ligand - metal chelation francesco oteri
  • Re: [gmx-users] constraints between protein ligand - metal chelation R.S.K.Vijayan
• [gmx-users] In Silico Compound Library Search Nancy
  • Re: [gmx-users] In Silico Compound Library Search Lucio Ricardo Montero Valenzuela
• [gmx-users] Justin-lipid tutorials.. rama david
  • Re: [gmx-users] Justin-lipid tutorials.. Justin A. Lemkul
  • Re: [gmx-users] Justin-lipid tutorials.. rama david
  • Re: [gmx-users] Justin-lipid tutorials.. Justin A. Lemkul
  • Re: [gmx-users] Justin-lipid tutorials.. rama david
  • Re: [gmx-users] Justin-lipid tutorials.. Justin A. Lemkul
• [gmx-users] extention of the simulation Turgay Cakmak
  • Re: [gmx-users] extention of the simulation Anirban
  • Re: [gmx-users] extention of the simulation Justin A. Lemkul
• [gmx-users] intermolecular H bond selection mu xiaojia
  • Re: [gmx-users] intermolecular H bond selection Justin A. Lemkul
  • Re: [gmx-users] intermolecular H bond selection mu xiaojia
  • Re: [gmx-users] intermolecular H bond selection Anirban
  • Re: [gmx-users] intermolecular H bond selection Erik Marklund
• [gmx-users] BAR calculations with tabulated non-bonded potentials Rustad, James R
  • Re: [gmx-users] BAR calculations with tabulated non-bonded potentials Justin A. Lemkul
  • [gmx-users] Re: BAR calculations with tabulated non-bonded potentials jrustad
  • Re: [gmx-users] Re: BAR calculations with tabulated non-bonded potentials Justin A. Lemkul
  • [gmx-users] Re: BAR calculations with tabulated non-bonded potentials jrustad
  • Re: [gmx-users] Re: BAR calculations with tabulated non-bonded potentials Justin A. Lemkul
  • [gmx-users] Re: BAR calculations with tabulated non-bonded potentials jrustad
  • Re: [gmx-users] Re: BAR calculations with tabulated non-bonded potentials Justin A. Lemkul
• [gmx-users] Different Lipids into one Moleculetype (for position restrain) Ricardo O. S. Soares
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Jan Marzinek
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Justin A. Lemkul
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Peter C. Lai
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Justin A. Lemkul
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Peter C. Lai
  • Re: [gmx-users] Different Lipids into one Moleculetype (for position restrain) Ricardo O. S. Soares
• [gmx-users] tabulated potentials for dihedrals - regd ramesh cheerla
• [gmx-users] dipole moment of a molecule Milinda Samaraweera
  • Re: [gmx-users] dipole moment of a molecule Dommert Florian
• [gmx-users] course grained fluorinated lipids martini mapping maria goranovic
• [gmx-users] Re: Umbrella Profile Steven Neumann
• Re: [gmx-users] Regarding GROMACS interface with G03 Javier Cerezo
• [gmx-users] Re: What is the autocorrelation time ABEL Stephane 175950
• [gmx-users] Regarding error. Seera Suryanarayana
  • Re: [gmx-users] Regarding error. Anirban
  • Re: [gmx-users] Regarding error. Mark Abraham
  • [gmx-users] Regarding error. Seera Suryanarayana
  • Re: [gmx-users] Regarding error. Javier Cerezo
  • [gmx-users] Regarding error. Seera Suryanarayana
  • Re: [gmx-users] Regarding error. Dylan Smith
  • [gmx-users] Regarding error. Seera Suryanarayana
  • Re: [gmx-users] Regarding error. Justin A. Lemkul
  • [gmx-users] Regarding error. Seera Suryanarayana
  • Re: [gmx-users] Regarding error. rama david
• [gmx-users] Regarding errors. Seera Suryanarayana
  • Re: [gmx-users] Regarding errors. Mark Abraham
  • [gmx-users] Regarding errors. Seera Suryanarayana
  • Re: [gmx-users] Regarding errors. Justin A. Lemkul

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