April 2017 Archives by subject

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Starting: Sat Apr 1 06:42:47 CEST 2017
Ending: Sun Apr 30 21:28:25 CEST 2017
Messages: 546

[gmx-users] (no subject) RAHUL SURESH
[gmx-users] (no subject) maria khan
[gmx-users] (no subject) Vytautas Rakeviius
[gmx-users] (no subject) Vytautas Rakeviius
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) Erik Marklund
[gmx-users] (no subject) RAHUL SURESH
[gmx-users] (no subject) Shivangi Agarwal
[gmx-users] (no subject) Shivangi Agarwal
[gmx-users] (no subject) Mark Abraham
[gmx-users] .mdp file for Enthalpy of Vaporization calculation Matteo Busato
[gmx-users] .mdp file for Enthalpy of Vaporization calculation Justin Lemkul
[gmx-users] .mdp file settings for thermodynamic integration deepak bapat
[gmx-users] 2016.3 installation RAHUL SURESH
[gmx-users] 2016.3 installation RAHUL SURESH
[gmx-users] 2016.3 installation RAHUL SURESH
[gmx-users] 2016.3 installation Mark Abraham
[gmx-users] acc-grps and acceleration Kamps, M.
[gmx-users] addition of an isopeptide bond and its simulation Raag Saluja
[gmx-users] addition of an isopeptide bond and its simulation Justin Lemkul
[gmx-users] addition of an isopeptide bond and its simulation Justin Lemkul
[gmx-users] Alchemical free energy Alex
[gmx-users] Alchemical free energy Hannes Loeffler
[gmx-users] All atom coordinates for Test Particle Insertion Badmos, Sakiru
[gmx-users] bd integrator problems Johannes Wagner
[gmx-users] bd integrator problems Mark Abraham
[gmx-users] BOND DISSOCIATION ENERGY STUDY USING GROMACS Neha Gupta
[gmx-users] BOND DISSOCIATION ENERGY STUDY USING GROMACS Justin Lemkul
[gmx-users] Building box arround given membrane with gmx solvate. As small as possible. Vytautas Rakeviius
[gmx-users] Calculating the interfacial tension between solid and liquid Lei
[gmx-users] Calculation of configurational entropy Saumyak Mukherjee
[gmx-users] Calculation of configurational entropy David van der Spoel
[gmx-users] Calculation of Cv Saumyak Mukherjee
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory Tasneem Kausar
[gmx-users] cant load trajectory, low memory Tasneem Kausar
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Justin Lemkul
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] cant load trajectory, low memory Mark Abraham
[gmx-users] cant load trajectory, low memory abhisek Mondal
[gmx-users] CG Graphene - dihedral problem/parameter Sajjad Kavyani
[gmx-users] Charmm ff compatibility with Gromacs maria khan
[gmx-users] Charmm ff compatibility with Gromacs Erik Marklund
[gmx-users] Charmm stream file RAHUL SURESH
[gmx-users] Charmm stream file Mark Abraham
[gmx-users] CHARMM27 hates my DMPC Vytautas Rakeviius
[gmx-users] CHARMM27 hates my DMPC Justin Lemkul
[gmx-users] CHARMM27 hates my DMPC Vytautas Rakeviius
[gmx-users] CHARMM27 hates my DMPC Justin Lemkul
[gmx-users] Clustsize Sohaib. Mohammed
[gmx-users] Computational electrophysiology issues with leakage Carlos Navarro
[gmx-users] Computational electrophysiology issues with membrane leakage Carlos Navarro
[gmx-users] Computational electrophysiology issues with membrane leakage Kutzner, Carsten
[gmx-users] Computing the heat capacity of protein Malvika K
[gmx-users] Computing the heat capacity of protein David van der Spoel
[gmx-users] continuation with different dt values Dayhoff, Guy
[gmx-users] continuation with different dt values Mark Abraham
[gmx-users] Convert DL_POLY-4.0.8 input files to GROMACS input file Rahul Nikhar
[gmx-users] core dumped during equilibration in gromacs ISHRAT JAHAN
[gmx-users] Density calculation Md. Imrul Reza Shishir
[gmx-users] Density calculation Christopher Neale
[gmx-users] determining restraints for pulling abhisek Mondal
[gmx-users] determining restraints for pulling Mark Abraham
[gmx-users] determining restraints for pulling abhisek Mondal
[gmx-users] determining restraints for pulling Justin Lemkul
[gmx-users] determining restraints for pulling abhisek Mondal
[gmx-users] determining restraints for pulling Justin Lemkul
[gmx-users] Difference between LJ-14 and LJ(SR) Heng Ma
[gmx-users] Dihedral angles Vs time (in ps) Neha Gupta
[gmx-users] Dihedral angles Vs time (in ps) Quyen V. Vu
[gmx-users] dihedral problem - Coarse-grained graphene sheet Sajjad Kavyani
[gmx-users] does gmx2016.3 support Nvidia 1080Ti? 维维
[gmx-users] does gmx2016.3 support Nvidia 1080Ti? Mark Abraham
[gmx-users] domain decomposition error Alex Mathew
[gmx-users] domain decomposition error- ------ Alex Mathew
[gmx-users] Drug moves out of the nanocarrier faride badalkhani
[gmx-users] Drug moves out of the nanocarrier faride badalkhani
[gmx-users] Drug moves out of the nanocarrier Justin Lemkul
[gmx-users] elongated protein in production run abhisek Mondal
[gmx-users] elongated protein in production run Mark Abraham
[gmx-users] elongated protein in production run Mark Abraham
[gmx-users] elongated protein in production run abhisek Mondal
[gmx-users] Energy Miinimization question Mishelle Oña
[gmx-users] Energy Miinimization question Vytautas Rakeviius
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Mark Abraham
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Mark Abraham
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Mark Abraham
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Justin Lemkul
[gmx-users] Error at FEP lambda = 1; seg. fault. with "larger than the table limit" message Eric Smoll
[gmx-users] ERROR atom 'X' has mass 0 (state A) / 0 (state B) Patel, Hershna
[gmx-users] Error bar in alchemical free energy calculation, alchemical_analysis Alex
[gmx-users] Error determination of Dipole Moment Debraj Das
[gmx-users] Error determination of Dipole Moment David van der Spoel
[gmx-users] Error during nvt: Not enough memory. Failed to allocate 3425307227 aligned elements of size 4 for grid->grid. What is happening Li, J.
[gmx-users] Error during nvt: Not enough memory. Failed to allocate 3425307227 aligned elements of size 4 for grid->grid. What is happening Justin Lemkul
[gmx-users] Error in pdb2gmx command (Justin Lemukel) Yogendra Patel
[gmx-users] Error in pdb2gmx command (Justin Lemukel) Justin Lemkul
[gmx-users] Error In Umbrella sampling. Anurag Dobhal
[gmx-users] Error In Umbrella sampling. Christopher Neale
[gmx-users] Error In Umbrella sampling. Christopher Neale
[gmx-users] Error In Umbrella sampling. Thomas Piggot
[gmx-users] Exporting md frames to pdb format Chetan Puri
[gmx-users] Exporting md frames to pdb format Justin Lemkul
[gmx-users] Exporting md frames to pdb format Chetan Puri
[gmx-users] Extending simulation RAHUL SURESH
[gmx-users] Extending simulation João Henriques
[gmx-users] Extending simulation João Henriques
[gmx-users] Extending simulation Justin Lemkul
[gmx-users] Extending simulation RAHUL SURESH
[gmx-users] extending simulation using GPU, previously ran in CPU Mark Abraham
[gmx-users] extending simulation using GPU, previously ran in CPU Mark Abraham
[gmx-users] extending simulation using GPU, previously ran in CPU Anshul Lahariya
[gmx-users] extending simulation using GPU, previously ran in CPU Nikhil Maroli
[gmx-users] extending simulation using GPU,previously ran in CPU Nikhil Maroli
[gmx-users] failed to restart the REMD YanhuaOuyang
[gmx-users] Fast energy evaluation András Ferenc WACHA
[gmx-users] Fast energy evaluation Erik Marklund
[gmx-users] Fast energy evaluation Mark Abraham
[gmx-users] Fast energy evaluation Peter Kroon
[gmx-users] Fatal Error - XTC error - maybe you are out of disk space? Christopher Neale
[gmx-users] Fatal Error - XTC error - maybe you are out of disk space? Kelechi Okoroafor
[gmx-users] Fatal Error - XTC error - maybe you are out of disk space? Kelechi Okoroafor
[gmx-users] Fatal Error - XTC error - maybe you are out of disk space? Kelechi Okoroafor
[gmx-users] Fatal Error - XTC error - maybe you are out of disk space? Justin Lemkul
[gmx-users] Filling box with long linear molecules Kamps, M.
[gmx-users] Filling box with long linear molecules Mark Abraham
[gmx-users] fit versus nofit Oliver Carrillo
[gmx-users] fit versus nofit David van der Spoel
[gmx-users] fit versus nofit Oliver Carrillo
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Phillip Rauscher
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Phillip Rauscher
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Mark Abraham
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Phillip Rauscher
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Mark Abraham
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? Phillip Rauscher
[gmx-users] Force Fields Keeping sp3 Nitrogen Groups Planar? David van der Spoel
[gmx-users] Fraction of native contacts. B Prakash
[gmx-users] Fraction of native contacts. B Prakash
[gmx-users] Fraction of native contacts. WT Ren
[gmx-users] Free energy calculation .cpt file problem Anjali Patel
[gmx-users] Fwd: RAHUL SURESH
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone Mark Abraham
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone ISHRAT JAHAN
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone Mark Abraham
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone ISHRAT JAHAN
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone Mark Abraham
[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone ISHRAT JAHAN
[gmx-users] Fwd: Dipole moment of water Alex
[gmx-users] Fwd: Dipole moment of water Mark Abraham
[gmx-users] Fwd: Domain decomposition error Kashif
[gmx-users] Fwd: Error bar in alchemical free energy calculation, alchemical_analysis Michael Shirts
[gmx-users] Fwd: Error bar in alchemical free energy calculation, alchemical_analysis Alex
[gmx-users] g-C3N4 GROMOS parameters Lamm Gro
[gmx-users] GAAMP parameterization Mohsen Ramezanpour
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc Vytautas Rakeviius
[gmx-users] Gcc Mark Abraham
[gmx-users] Gcc RAHUL SURESH
[gmx-users] Gcc Vytautas Rakeviius
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc RAHUL SURESH
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc RAHUL SURESH
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc João Henriques
[gmx-users] Gcc João Henriques
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc Mark Abraham
[gmx-users] Gcc João Henriques
[gmx-users] Gcc Mark Abraham
[gmx-users] Gcc João Henriques
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Gcc Anshul Lahariya
[gmx-users] Generate non-bonded combinations lan hoa Trinh
[gmx-users] gmx convert-tpr problem Gregory Man Kai Poon
[gmx-users] gmx convert-tpr problem Justin Lemkul
[gmx-users] gmx convert-tpr problem Mark Abraham
[gmx-users] gmx convert-tpr problem Gregory Man Kai Poon
[gmx-users] gmx convert-tpr problem Mark Abraham
[gmx-users] gmx hbond Mohsen Ramezanpour
[gmx-users] gmx hbond Erik Marklund
[gmx-users] gmx hbond Mohsen Ramezanpour
[gmx-users] gmx insert-molecules - molecules "sticking out of the box" Magnus Lundborg
[gmx-users] gmx insert-molecules - molecules "sticking out of the box" Mark Abraham
[gmx-users] gmx insert-molecules - molecules "sticking out of the box" Jernej Zidar
[gmx-users] gmx insert_molecules problem 吴萌
[gmx-users] gmx insert_molecules problem Justin Lemkul
[gmx-users] gmx mdrun Neha Gupta
[gmx-users] gmx mdrun Vytautas Rakeviius
[gmx-users] gmx sans and gmx saxs Sahithya S Iyer
[gmx-users] gmx sans and gmx saxs Nikhil Maroli
[gmx-users] gmx sans and gmx saxs Sahithya S Iyer
[gmx-users] Gromacs - MD run Mariusz Wierzbowski
[gmx-users] Gromacs - MD run Mark Abraham
[gmx-users] Gromacs - MD run Vytautas Rakeviius
[gmx-users] Gromacs - MD run Vytautas Rakeviius
[gmx-users] gromacs Query Aman Deep
[gmx-users] gromacs Query Mark Abraham
[gmx-users] gromacs Query Aman Deep
[gmx-users] gromacs Query Mark Abraham
[gmx-users] gromacs Query Aman Deep
[gmx-users] gromacs Query Mark Abraham
[gmx-users] gromacs Query Aman Deep
[gmx-users] gromacs Query Justin Lemkul
[gmx-users] gromacs Query Mark Abraham
[gmx-users] gromacs Query Aman Deep
[gmx-users] gromacs.org_gmx-users Digest, Vol 156, Issue 112 Raag Saluja
[gmx-users] gromacs.org_gmx-users Digest, Vol 156, Issue 13 Dayhoff, Guy
[gmx-users] gromacs.org_gmx-users Digest, Vol 156, Issue 48 Li, J.
[gmx-users] GROMACS3.3.1 - configure: error: invalid variable name: –-with-fft Simon Kit Sang Chu
[gmx-users] GROMACS3.3.1 - configure: error: invalid variable name: –-with-fft João M. Damas
[gmx-users] GROMACS3.3.1 - configure: error: invalid variable name: –-with-fft Simon Kit Sang Chu
[gmx-users] GTX Titan XP performance for gromacs Kumar Meena, Santosh
[gmx-users] HBond for F and S Marcelo Depólo
[gmx-users] HBond for F and S Justin Lemkul
[gmx-users] HBond for F and S (Justin Lemkul) Marcelo Depólo
[gmx-users] Hbond residence time Marcelo Depólo
[gmx-users] Hbond residence time Justin Lemkul
[gmx-users] Heat a fixed region 长只翅膀
[gmx-users] Heat a fixed region Mark Abraham
[gmx-users] Heavy metals parameterisation Alex Mathew
[gmx-users] Heavy metals parameterisation Justin Lemkul
[gmx-users] Heavy metals parameterisation Alex Mathew
[gmx-users] Heavy metals parameterisation Justin Lemkul
[gmx-users] Heavy metals parameterisation Alex Mathew
[gmx-users] Heavy metals parameterisation Justin Lemkul
[gmx-users] Heavy metals parameterisation Alex Mathew
[gmx-users] Heavy metals parameterisation Justin Lemkul
[gmx-users] Heavy metals parameterisation Alex Mathew
[gmx-users] Heavy metals parameterisation Justin Lemkul
[gmx-users] Help: Illegal divion by zero lipid+protein+solvent Poncho Arvayo Zatarain
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Justin Lemkul
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Christopher Neale
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Justin Lemkul
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Justin Lemkul
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Timofey Tyugashev
[gmx-users] Higher that usual salt bridge occupancies in Amber99sb*-ildn forcefield despite adding nonbonded corrections Priyesh Mohanty
[gmx-users] How to do an osmotic pressure calculation in Gromacs 5.1.4. Miner, Jacob Carlson
[gmx-users] How to do an osmotic pressure calculation in Gromacs 5.1.4. Justin Lemkul
[gmx-users] How to extend simulation by changing the mdp file? ZHANG Cheng
[gmx-users] How to extend simulation by changing the mdp file? Justin Lemkul
[gmx-users] How to extend simulation? ZHANG Cheng
[gmx-users] How to extend simulation? Mark Abraham
[gmx-users] How to extend simulation? Mark Abraham
[gmx-users] How to extend simulation? Justin Lemkul
[gmx-users] How to extend simulation? ZHANG Cheng
[gmx-users] How to extend simulation? Justin Lemkul
[gmx-users] How to heat atoms within a given region and obtain temperture profile 长只翅膀
[gmx-users] How to heat atoms within a given region and obtain temperture profile 长只翅膀
[gmx-users] How to install g_fg2cg Sudip Das
[gmx-users] How to install g_fg2cg Peter Kroon
[gmx-users] How to install g_fg2cg Sudip Das
[gmx-users] how to know solvent molecule number Chintan Bhagat
[gmx-users] how to know solvent molecule number Justin Lemkul
[gmx-users] how to know solvent molecule number Mark Abraham
[gmx-users] how to know solvent molecule number Mark Abraham
[gmx-users] how to know solvent molecule number spss4 at iacs.res.in
[gmx-users] how to know solvent molecule number Vytautas Rakeviius
[gmx-users] how to know solvent molecule number Vytautas Rakeviius
[gmx-users] how to know solvent molecule number Vytautas Rakeviius
[gmx-users] how to know solvent molecule number Chintan Bhagat
[gmx-users] how to know solvent molecule number Justin Lemkul
[gmx-users] How to measure distance between two COM (centre of mass) of two group of atom Md. Imrul Reza Shishir
[gmx-users] How to orientationally restrain a molecule? Michael Shirts
[gmx-users] How to put excipients into the simulation box? ZHANG Cheng
[gmx-users] How to put excipients into the simulation box? Mark Abraham
[gmx-users] How to write pull code in umbrella sampling Qing Lv
[gmx-users] How to write pull code in umbrella sampling Justin Lemkul
[gmx-users] How to write pull code in umbrella sampling Qing Lv
[gmx-users] How to write pull code in umbrella sampling Justin Lemkul
[gmx-users] How to write pull code in umbrella sampling Qing Lv
[gmx-users] HYDROGEN BOND EXISTENCE MAP Sheeja Vasudevan
[gmx-users] HYDROGEN BOND EXISTENCE MAP Neha Gupta
[gmx-users] Hydrogen bond occupancy Neha Gupta
[gmx-users] Hydrogen bond occupancy Erik Marklund
[gmx-users] Hydrogen bond occupancy Neha Gupta
[gmx-users] Hydrogen bond occupancy Mark Abraham
[gmx-users] Illegal divion by zero lipid+protein+solvent Poncho Arvayo Zatarain
[gmx-users] Illegal divion by zero lipid+protein+solvent Justin Lemkul
[gmx-users] Interactive Essential Dynamics (IED) installation: vmdnumpy module not available Qing Lv
[gmx-users] INTERPRETING THE ENERGY VALUES AFTER SIMULATIONS IN GROMACS Kulkarni R
[gmx-users] INTERPRETING THE ENERGY VALUES AFTER SIMULATIONS IN GROMACS David van der Spoel
[gmx-users] Lennard-Jones parameters for metal surfaces Miguel Caro
[gmx-users] Ligand simulation RAHUL SURESH
[gmx-users] Ligand simulation abhisek Mondal
[gmx-users] Ligand simulation Mark Abraham
[gmx-users] LINCS Neda Rafiee
[gmx-users] LINCS João Henriques
[gmx-users] LINCS Neda Rafiee
[gmx-users] LINCS João Henriques
[gmx-users] LINCS Neda Rafiee
[gmx-users] make Anshul Lahariya
[gmx-users] make Mark Abraham
[gmx-users] make Mark Abraham
[gmx-users] make Anshul Lahariya
[gmx-users] make Vytautas Rakeviius
[gmx-users] make Mark Abraham
[gmx-users] make Vytautas Rakeviius
[gmx-users] Md simulation by Gromacs Erik Marklund
[gmx-users] mdrun (5.1.2) restart doesn't recognize pull-code files given default but unspecified names Christopher Neale
[gmx-users] mdrun (5.1.2) restart doesn't recognize pull-code files given default but unspecified names Mark Abraham
[gmx-users] mdrun (5.1.2) restart doesn't recognize pull-code files given default but unspecified names Justin Lemkul
[gmx-users] Missing bond Sudip Das
[gmx-users] Missing bond Justin Lemkul
[gmx-users] Missing bond Sudip Das
[gmx-users] Most suitable intervals of temperature in REMD Мижээ Батсайхан
[gmx-users] No data on Pullf and Pullx files after restart Souparno Adhikary
[gmx-users] No data on Pullf and Pullx files after restart Mark Abraham
[gmx-users] Non-overlapping region appears in histograms when using SMD+Umbrella Sampling for strong binding complex Jason Zhu
[gmx-users] Non-overlapping region appears in histograms when using SMD+Umbrella Sampling for strong binding complex Justin Lemkul
[gmx-users] Non-overlapping region appears in histograms when using SMD+Umbrella Sampling for strong binding complex Jason Zhu
[gmx-users] Non-overlapping region appears in histograms when using SMD+Umbrella Sampling for strong binding complex Justin Lemkul
[gmx-users] NPT file parameters Pranesh M
[gmx-users] NPT file parameters Vytautas Rakeviius
[gmx-users] NPT file parameters Vytautas Rakeviius
[gmx-users] Order in which gromacs calculates non-bonded parameters Mark Abraham
[gmx-users] Order in which gromacs calculates non-bonded parameters Mark Abraham
[gmx-users] Order in which gromacs calculates non-bonded parameters Vries, de, H.W.
[gmx-users] Parameterization for noval molecules. maria khan
[gmx-users] Parameterization for noval molecules. Justin Lemkul
[gmx-users] Parameterization of FAD (FLAVIN-ADENINE DINUCLEOTIDE) Justin Lemkul
[gmx-users] Parameterization of FAD (FLAVIN-ADENINE DINUCLEOTIDE) Juan José Galano Frutos
[gmx-users] PBC problem Albert
[gmx-users] Plotting area per lipid Poncho Arvayo Zatarain
[gmx-users] Plotting area per lipid Justin Lemkul
[gmx-users] Position restraint on DPPC lipid bilayer Sithara Perera
[gmx-users] Position restraint on DPPC lipid bilayer Sithara Perera
[gmx-users] Position restraint on DPPC lipid bilayer Justin Lemkul
[gmx-users] Positive PE in minimization step of ionic liquid BMIM PF6 Abhishek Banerjee
[gmx-users] Positive PE in minimization step of ionic liquid BMIM PF6 David van der Spoel
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Amir Zeb
[gmx-users] powercut command Devashish_Das
[gmx-users] powercut command Devashish_Das
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Mark Abraham
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Tasneem Kausar
[gmx-users] powercut command gozde ergin
[gmx-users] powercut command Tasneem Kausar
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Tasneem Kausar
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Justin Lemkul
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Justin Lemkul
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Justin Lemkul
[gmx-users] powercut command Anshul Lahariya
[gmx-users] powercut command Justin Lemkul
[gmx-users] pressure scaling more than 1% abhisek Mondal
[gmx-users] pressure scaling more than 1% abhisek Mondal
[gmx-users] problem to restart the REMD YanhuaOuyang
[gmx-users] Problem with area per lipid Sheikh Imamul Hossain
[gmx-users] Problem with MD simulation Mariusz Wierzbowski
[gmx-users] Problem with MD simulation Marlon Sidore
[gmx-users] PROTEIN FOLDING Neha Gupta
[gmx-users] PROTEIN FOLDING Vytautas Rakeviius
[gmx-users] Protein goes out of the box spss4 at iacs.res.in
[gmx-users] Protein goes out of the box Justin Lemkul
[gmx-users] Protein goes out of the box spss4 at iacs.res.in
[gmx-users] Protein goes out of the box Justin Lemkul
[gmx-users] Protein ligand complex simulation RAHUL SURESH
[gmx-users] Protein ligand complex simulation RAHUL SURESH
[gmx-users] Protein ligand complex simulation Justin Lemkul
[gmx-users] Protein ligand complex simulation RAHUL SURESH
[gmx-users] Protein ligand complex simulation Justin Lemkul
[gmx-users] Protein ligand complex simulation RAHUL SURESH
[gmx-users] Protein ligand complex simulation Justin Lemkul
[gmx-users] Protein ligand complex simulation Mark Abraham
[gmx-users] Protein-ligand RAHUL SURESH
[gmx-users] Protein-ligand Justin Lemkul
[gmx-users] Protein-ligand RAHUL SURESH
[gmx-users] Protein-ligand Justin Lemkul
[gmx-users] Protein-ligand RAHUL SURESH
[gmx-users] protein-ligand simmulation Aman Deep
[gmx-users] protein-ligand simmulation Justin Lemkul
[gmx-users] protein-ligand simmulation Aman Deep
[gmx-users] Pulling/restraints along the radius of gyration Jochen Hub
[gmx-users] query about resuming a crashed mdrun abhisek Mondal
[gmx-users] query about resuming a crashed mdrun abhisek Mondal
[gmx-users] query about resuming a crashed mdrun Mark Abraham
[gmx-users] query about resuming a crashed mdrun abhisek Mondal
[gmx-users] query about resuming a crashed mdrun Mark Abraham
[gmx-users] Regarding analysing cos theta distribution functions Dilip H N
[gmx-users] Regarding analysing cos theta distribution functions Dilip H N
[gmx-users] Regarding analysing cos theta distribution functions Jonathan Saboury
[gmx-users] Regarding analysing cos theta distribution functions Jonathan Saboury
[gmx-users] Regarding analysing cos theta distribution functions Dilip H N
[gmx-users] Regarding analysing cos theta distribution functions Mark Abraham
[gmx-users] Regarding analysing cos theta distribution functions João Henriques
[gmx-users] Regarding analysing cos theta distribution functions Dilip H N
[gmx-users] Regarding analysing cos theta distribution functions Mark Abraham
[gmx-users] Regarding analysing cos theta distribution functions Mark Abraham
[gmx-users] Regarding analysing cos theta distribution functions Dilip H N
[gmx-users] Regarding calculation of angles Dilip H N
[gmx-users] Regarding calculation of angles Dilip H N
[gmx-users] Regarding calculation of angles Justin Lemkul
[gmx-users] Regarding calculation of running coordination number Dilip H N
[gmx-users] Regarding Cos theta functions calculations in gromacs... Dilip H N
[gmx-users] Regarding finding orientation of angles of solvent with desired atom Dilip H N
[gmx-users] Regarding finding orientation of angles of solvent with desired atom Dilip H N
[gmx-users] Regarding getting trajectories in gromacs.. Dilip H N
[gmx-users] Regarding getting trajectories in gromacs.. spss4 at iacs.res.in
[gmx-users] Regarding gmx sorient Dilip H N
[gmx-users] Regarding PBC Dilip H N
[gmx-users] Regarding PBC Mark Abraham
[gmx-users] Regarding PBC Mark Abraham
[gmx-users] Regarding reading .gro file in python Dilip H N
[gmx-users] Regarding reading .gro file in python Oliver Beckstein
[gmx-users] Regarding reading .gro file in python Dawid das
[gmx-users] Regarding reading .gro file in python Dilip H N
[gmx-users] Regarding reading .gro file in python Justin Lemkul
[gmx-users] Regarding reading .gro file in python Dilip H N
[gmx-users] Regarding reading .gro file in python Dilip H N
[gmx-users] Regarding reading .gro file in python Justin Lemkul
[gmx-users] Regarding reading .gro file in python Justin Lemkul
[gmx-users] Regarding reading .gro file in python Dilip H N
[gmx-users] Regarding reading .gro file in python Justin Lemkul
[gmx-users] Regarding reading .gro file in python Quyen V. Vu
[gmx-users] Regarding restricting to centre of box, cos theta functions Dilip H N
[gmx-users] Regarding restricting to centre of box, cos theta functions Dilip H N
[gmx-users] Regarding restricting to centre of box, cos theta functions Justin Lemkul
[gmx-users] Regarding restricting to centre of box, cos theta functions Justin Lemkul
[gmx-users] Regarding running coordination number Dilip H N
[gmx-users] Regarding structure conformation Dilip H N
[gmx-users] Regarding structure conformation Vytautas Rakeviius
[gmx-users] Regarding structure conformation Vytautas Rakeviius
[gmx-users] Regarding structure conformation Justin Lemkul
[gmx-users] Regarding topology creation Dilip H N
[gmx-users] Regarding topology creation Peter Stern
[gmx-users] Regarding topology creation Dilip H N
[gmx-users] Regarding topology creation Mark Abraham
[gmx-users] Regarding viewing Trajectories Dilip H N
[gmx-users] Regarding viewing Trajectories Mark Abraham
[gmx-users] Regarding viewing Trajectories Dilip H N
[gmx-users] Regarding viewing Trajectories Mark Abraham
[gmx-users] Replica exchange simulations more than number of processor Smith, Micholas D.
[gmx-users] Replica exchange simulations more than number of processor Christopher Neale
[gmx-users] Replica exchange simulations more than number of processor Мижээ Батсайхан
[gmx-users] Replica exchange simulations more than number of processor Szilárd Páll
[gmx-users] Replica exchange simulations more than number of processor Мижээ Батсайхан
[gmx-users] Replica exchange simulations more than number of processor Szilárd Páll
[gmx-users] Replica exchange simulations more than number of processor Thomas Piggot
[gmx-users] Replica exchange simulations more than number of processor Christopher Neale
[gmx-users] Replica exchange simulations more than number of processor Thomas Piggot
[gmx-users] Replica exchange simulations more than number of processor Christopher Neale
[gmx-users] Replica exchange simulations more than number of processor Thomas Piggot
[gmx-users] Replica exchange simulations more than number of processor Christopher Neale
[gmx-users] Reply To: Fatal Error - XTC error - maybe you are out of disk space? Kelechi Okoroafor
[gmx-users] Reply To: Fatal Error - XTC error - maybe you are out of disk space? Justin Lemkul
[gmx-users] Reply To: Fatal Error - XTC error - maybe you are out of disk space? Christopher Neale
[gmx-users] restart a stopped simulation after a power failure? correct command Adarsh V. K.
[gmx-users] restart a stopped simulation after a power failure? correct command Justin Lemkul
[gmx-users] restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81 Adarsh V. K.
[gmx-users] restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81 Mark Abraham
[gmx-users] restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81 Mark Abraham
[gmx-users] Restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81 Justin Lemkul
[gmx-users] Setting up simulation system of a protein-detergent complex Jochen Hub
[gmx-users] Simulation length for measurement of viscosity in NEMD Debraj Das
[gmx-users] simulation of molecules in solid state Saumyak Mukherjee
[gmx-users] simulation of molecules in solid state Justin Lemkul
[gmx-users] simulation of molecules in solid state Saumyak Mukherjee
[gmx-users] System almost blowing up Dayhoff, Guy
[gmx-users] System almost blowing up Justin Lemkul
[gmx-users] System almost blowing up Dayhoff, Guy
[gmx-users] System almost blowing up Justin Lemkul
[gmx-users] System almost blowing up Dayhoff, Guy
[gmx-users] System almost blowing up Justin Lemkul
[gmx-users] System almost blowing up Dayhoff, Guy
[gmx-users] System almost blowing up Justin Lemkul
[gmx-users] temperature of simulated annealing Мижээ Батсайхан
[gmx-users] Terminal group patching Alex Mathew
[gmx-users] Terminal group patching Justin Lemkul
[gmx-users] Terminal group patching Alex Mathew
[gmx-users] Terminal group patching Justin Lemkul
[gmx-users] Test particle insertion for all atom force field Badmos, Sakiru
[gmx-users] Test particle insertion for all atom force field João M. Damas
[gmx-users] TOPOLBUILD Vidya Devi
[gmx-users] TOPOLBUILD Ray, Bruce D
[gmx-users] Topology file and itp file lan hoa Trinh
[gmx-users] Topology file and itp file Mark Abraham
[gmx-users] Topology file and itp file lan hoa Trinh
[gmx-users] Topology file and itp file Justin Lemkul
[gmx-users] Topology file and itp file lan hoa Trinh
[gmx-users] Topology file and itp file Justin Lemkul
[gmx-users] Topology file and itp file lan hoa Trinh
[gmx-users] Topology file and itp file Justin Lemkul
[gmx-users] Topology file and itp file lan hoa Trinh
[gmx-users] Trying to use cutoff electrostatics with MARTINI Graham J.A.
[gmx-users] Trying to use cutoff electrostatics with MARTINI Mark Abraham
[gmx-users] Trying to use cutoff electrostatics with MARTINI Graham J.A.
[gmx-users] Trying to use cutoff electrostatics with MARTINI Szilárd Páll
[gmx-users] Unit cell parameter and molecule volume calculation Md. Imrul Reza Shishir
[gmx-users] Use of LINCS during production run Saumyak Mukherjee
[gmx-users] Use of LINCS during production run Justin Lemkul
[gmx-users] use script/command to provide interactive options abhisek Mondal
[gmx-users] use script/command to provide interactive options Justin Lemkul
[gmx-users] use script/command to provide interactive options abhisek Mondal
[gmx-users] User Defined Potentials Ommair Ishaque
[gmx-users] User Defined Potentials Vytautas Rakeviius
[gmx-users] User Defined Potentials Vytautas Rakeviius
[gmx-users] User Defined Potentials Justin Lemkul
[gmx-users] Using the md integrator for calculating free energy of solvation Dan Gil
[gmx-users] Using the md integrator for calculating free energy of solvation Justin Lemkul
[gmx-users] Water models for Heterogeneous ice nucleation Hana Ripperdá
[gmx-users] Water models for Heterogeneous ice nucleation David van der Spoel
[gmx-users] wt% of the solvent Sam Dav
[gmx-users] wt% of the solvent ISHRAT JAHAN
[gmx-users] wt% of the solvent Sam Dav
[gmx-users] xtc/trr to dcd conversion abhisek Mondal
[gmx-users] xtc/trr to dcd conversion Justin Lemkul
[gmx-users] xtc/trr to dcd conversion abhisek Mondal
[gmx-users] xtc/trr to dcd conversion Justin Lemkul
[gmx-users] XYZ file and obgmx Lamm Gro
[gmx-users] XYZ file and obgmx Mark Abraham
[gmx-users] Zinc Oxide Simulation SAPNA BORAH
[gmx-users] Zinc Oxide Simulation André Farias de Moura
[gmx-users] Zinc Oxide Simulation SAPNA BORAH
[gmx-users] Zinc Oxide Simulation Justin Lemkul

Last message date: Sun Apr 30 21:28:25 CEST 2017
Archived on: Sun Apr 30 21:28:26 CEST 2017

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