April 2017 Archives by thread

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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] 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] Missing bond   Sudip Das
  • [gmx-users] Missing bond   Justin Lemkul
    • [gmx-users] Missing bond   Sudip Das
• [gmx-users] Water models for Heterogeneous ice nucleation   Hana Ripperdá
  • [gmx-users] Water models for Heterogeneous ice nucleation   David van der Spoel
• [gmx-users] HYDROGEN BOND EXISTENCE MAP   Sheeja Vasudevan
  • [gmx-users] HYDROGEN BOND EXISTENCE MAP   Neha Gupta
• [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] Energy Miinimization question   Mishelle Oña
  • [gmx-users] Energy Miinimization question   Vytautas Rakeviius
• [gmx-users] NPT file parameters   Pranesh M
  • [gmx-users] NPT file parameters   Vytautas Rakeviius
• [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] All atom coordinates for Test Particle Insertion   Badmos, Sakiru
• [gmx-users] gmx mdrun   Neha Gupta
  • [gmx-users] gmx mdrun   Vytautas Rakeviius
• [gmx-users] Calculation of configurational entropy   Saumyak Mukherjee
  • [gmx-users] Calculation of configurational entropy   David van der Spoel
• [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] does gmx2016.3 support Nvidia 1080Ti?   维维
  • [gmx-users] does gmx2016.3 support Nvidia 1080Ti?   Mark Abraham
• [gmx-users] Regarding PBC   Dilip H N
  • [gmx-users] Regarding PBC   Mark Abraham
• [gmx-users] Regarding structure conformation   Dilip H N
  • [gmx-users] Regarding structure conformation   Vytautas Rakeviius
    • [gmx-users] Regarding structure conformation   Justin Lemkul
• [gmx-users] Fwd: Dipole moment of water   Alex
  • [gmx-users] Fwd: Dipole moment of water   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   Mark Abraham
      • [gmx-users] gromacs Query   Aman Deep
      • [gmx-users] gromacs Query   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] How to write pull code in umbrella sampling   Justin Lemkul
      • [gmx-users] How to write pull code in umbrella sampling   Qing Lv
      • [gmx-users] gromacs Query   Mark Abraham
      • [gmx-users] gromacs Query   Aman Deep
• [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: analysis of osmolyte at particular distance from backbone   Mark Abraham
• [gmx-users] Order in which gromacs calculates non-bonded parameters   Vries, de, H.W.
  • [gmx-users] Order in which gromacs calculates non-bonded parameters   Mark Abraham
• [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] System almost blowing up   Dayhoff, Guy
  • [gmx-users] System almost blowing up   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] How to extend simulation?   ZHANG Cheng
  • [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] gromacs.org_gmx-users Digest, Vol 156, Issue 13   Dayhoff, Guy
• [gmx-users] System almost blowing up   Dayhoff, Guy
  • [gmx-users] System almost blowing up   Justin Lemkul
• [gmx-users] continuation with different dt values   Dayhoff, Guy
  • [gmx-users] continuation with different dt values   Mark Abraham
• [gmx-users] Regarding getting trajectories in gromacs..   Dilip H N
  • [gmx-users] Regarding getting trajectories in gromacs..   spss4 at iacs.res.in
• [gmx-users] XYZ file and obgmx   Lamm Gro
  • [gmx-users] XYZ file and obgmx   Mark Abraham
• [gmx-users] gmx insert_molecules problem   吴萌
  • [gmx-users] gmx insert_molecules problem   Justin Lemkul
• [gmx-users] gmx insert-molecules - molecules "sticking out of the box"   Jernej Zidar
  • [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] 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] Pulling/restraints along the radius of gyration   Jochen Hub
• [gmx-users] .mdp file for Enthalpy of Vaporization calculation   Matteo Busato
  • [gmx-users] .mdp file for Enthalpy of Vaporization calculation   Justin Lemkul
• [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] 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] 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] Alchemical free energy   Alex
  • [gmx-users] Alchemical free energy   Hannes Loeffler
• [gmx-users] How to measure distance between two COM (centre of mass) of two group of atom   Md. Imrul Reza Shishir
• [gmx-users] Difference between LJ-14 and LJ(SR)   Heng Ma
• [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] (no subject)   RAHUL SURESH
• [gmx-users] Ligand simulation   RAHUL SURESH
  • [gmx-users] Ligand simulation   abhisek Mondal
  • [gmx-users] Ligand simulation   Mark Abraham
• [gmx-users] Charmm ff compatibility with Gromacs   maria khan
  • [gmx-users] Charmm ff compatibility with Gromacs   Erik Marklund
• [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] 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] (no subject)   maria khan
  • [gmx-users] (no subject)   Mark Abraham
  • [gmx-users] (no subject)   Erik Marklund
• [gmx-users] (no subject)   Vytautas Rakeviius
• [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] 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   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   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] 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] PROTEIN FOLDING   Neha Gupta
  • [gmx-users] PROTEIN FOLDING   Vytautas Rakeviius
• [gmx-users] Free energy calculation .cpt file problem   Anjali Patel
• [gmx-users] Building box arround given membrane with gmx solvate. As small as possible.   Vytautas Rakeviius
• [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] g-C3N4 GROMOS parameters   Lamm Gro
• [gmx-users] Position restraint on DPPC lipid bilayer   Sithara Perera
• [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] 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] problem to restart the REMD   YanhuaOuyang
• [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   Dilip H N
      • [gmx-users] Regarding restricting to centre of box, cos theta functions   Justin Lemkul
• [gmx-users] Position restraint on DPPC lipid bilayer   Sithara Perera
  • [gmx-users] Position restraint on DPPC lipid bilayer   Justin Lemkul
• [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] GTX Titan XP performance for gromacs   Kumar Meena, Santosh
• [gmx-users] Md simulation by Gromacs   Erik Marklund
• [gmx-users] failed to restart the REMD   YanhuaOuyang
• [gmx-users] Regarding gmx sorient   Dilip H N
• [gmx-users] BOND DISSOCIATION ENERGY STUDY USING GROMACS   Neha Gupta
  • [gmx-users] BOND DISSOCIATION ENERGY STUDY USING GROMACS   Justin Lemkul
• [gmx-users] How to heat atoms within a given region and obtain temperture profile   长只翅膀
• [gmx-users] TOPOLBUILD   Vidya Devi
• [gmx-users] How to heat atoms within a given region and obtain temperture profile   长只翅膀
• [gmx-users] TOPOLBUILD   Ray, Bruce D
• [gmx-users] Parameterization for noval molecules.   maria khan
  • [gmx-users] Parameterization for noval molecules.   Justin Lemkul
• [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] Heavy metals parameterisation   Alex Mathew
  • [gmx-users] Heavy metals parameterisation   Justin Lemkul
• [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] How to put excipients into the simulation box?   ZHANG Cheng
  • [gmx-users] How to put excipients into the simulation box?   Mark Abraham
• [gmx-users] acc-grps and acceleration   Kamps, M.
• [gmx-users] Heat a fixed region   长只翅膀
  • [gmx-users] Heat a fixed region   Mark Abraham
• [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] bd integrator problems   Johannes Wagner
  • [gmx-users] bd integrator problems   Mark Abraham
• [gmx-users] Heavy metals parameterisation   Alex Mathew
  • [gmx-users] Heavy metals parameterisation   Justin Lemkul
• [gmx-users] .mdp file settings for thermodynamic integration   deepak bapat
• [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] Lennard-Jones parameters for metal surfaces   Miguel Caro
• [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] 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] Density calculation   Md. Imrul Reza Shishir
  • [gmx-users] Density calculation   Christopher Neale
• [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] 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   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   Dilip H N
      • [gmx-users] Regarding analysing cos theta distribution functions   Mark Abraham
• [gmx-users] Computing the heat capacity of protein   Malvika K
  • [gmx-users] Computing the heat capacity of protein   David van der Spoel
• [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] fit versus nofit   Oliver Carrillo
  • [gmx-users] fit versus nofit   David van der Spoel
    • [gmx-users] fit versus nofit   Oliver Carrillo
• [gmx-users] Generate non-bonded combinations   lan hoa Trinh
• [gmx-users] temperature of simulated annealing   Мижээ Батсайхан
• [gmx-users] (no subject)   RAHUL SURESH
• [gmx-users] Charmm stream file   RAHUL SURESH
  • [gmx-users] Charmm stream file   Mark Abraham
• [gmx-users] Fwd:   RAHUL SURESH
• [gmx-users] powercut command   Anshul Lahariya
  • [gmx-users] powercut command   Amir Zeb
    • [gmx-users] powercut command   Anshul Lahariya
      • [gmx-users] powercut command   Anshul Lahariya
      • [gmx-users] powercut command   Tasneem Kausar
      • [gmx-users] powercut command   Tasneem Kausar
      • [gmx-users] powercut command   Anshul Lahariya
      • [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   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] powercut command   Tasneem Kausar
  • [gmx-users] powercut command   Devashish_Das
    • [gmx-users] powercut command   Anshul Lahariya
      • [gmx-users] powercut command   Anshul Lahariya
      • [gmx-users] powercut command   gozde ergin
  • [gmx-users] powercut command   Mark Abraham
• [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] gromacs.org_gmx-users Digest, Vol 156, Issue 48   Li, J.
• [gmx-users] Regarding Cos theta functions calculations in gromacs...   Dilip H N
• [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   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   Justin Lemkul
      • [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] 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?   Christopher Neale
• [gmx-users] gmx hbond   Mohsen Ramezanpour
  • [gmx-users] gmx hbond   Erik Marklund
    • [gmx-users] gmx hbond   Mohsen Ramezanpour
• [gmx-users] Replica exchange simulations more than number of processor   Мижээ Батсайхан
  • [gmx-users] Replica exchange simulations more than number of processor   Smith, Micholas D.
    • [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   Szilárd Páll
      • [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] Error In Umbrella sampling.   Anurag Dobhal
  • [gmx-users] Error In Umbrella sampling.   Christopher Neale
    • [gmx-users] Error In Umbrella sampling.   Thomas Piggot
• [gmx-users] Use of LINCS during production run   Saumyak Mukherjee
  • [gmx-users] Use of LINCS during production run   Justin Lemkul
• [gmx-users] domain decomposition error   Alex Mathew
• [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] domain decomposition error- ------   Alex Mathew
• [gmx-users] Error bar in alchemical free energy calculation, alchemical_analysis   Alex
  • [gmx-users] Fwd: Error bar in alchemical free energy calculation, alchemical_analysis   Alex
    • [gmx-users] Fwd: Error bar in alchemical free energy calculation, alchemical_analysis   Michael Shirts
• [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] Fatal Error - XTC error - maybe you are out of disk space?   Kelechi Okoroafor
• [gmx-users] Error in pdb2gmx command (Justin Lemukel)   Yogendra Patel
  • [gmx-users] Error in pdb2gmx command (Justin Lemukel)   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   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] 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] gmx sans and gmx saxs   Sahithya S Iyer
• [gmx-users] gmx sans and gmx saxs   Nikhil Maroli
• [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] Illegal divion by zero lipid+protein+solvent   Poncho Arvayo Zatarain
  • [gmx-users] Help: Illegal divion by zero lipid+protein+solvent   Poncho Arvayo Zatarain
  • [gmx-users] Illegal divion by zero lipid+protein+solvent   Justin Lemkul
• [gmx-users] core dumped during equilibration in gromacs   ISHRAT JAHAN
• [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] Unit cell parameter and molecule volume calculation   Md. Imrul Reza Shishir
• [gmx-users] Parameterization of FAD (FLAVIN-ADENINE DINUCLEOTIDE)   Juan José Galano Frutos
  • [gmx-users] Parameterization of FAD (FLAVIN-ADENINE DINUCLEOTIDE)   Justin Lemkul
• [gmx-users] gmx sans and gmx saxs   Sahithya S Iyer
• [gmx-users] Clustsize   Sohaib. Mohammed
• [gmx-users] Problem with area per lipid   Sheikh Imamul Hossain
• [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] extending simulation using GPU,previously ran in CPU   Nikhil Maroli
  • [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] Problem with MD simulation   Mariusz Wierzbowski
  • [gmx-users] Problem with MD simulation   Marlon Sidore
• [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] Error determination of Dipole Moment   Debraj Das
  • [gmx-users] Error determination of Dipole Moment   David van der Spoel
• [gmx-users] Regarding calculation of running coordination number   Dilip H N
• [gmx-users] Drug moves out of the nanocarrier   faride badalkhani
• [gmx-users] Setting up simulation system of a protein-detergent complex   Jochen Hub
• [gmx-users] 2016.3 installation   RAHUL SURESH
• [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   abhisek Mondal
• [gmx-users] Regarding running coordination number   Dilip H N
• [gmx-users] Gromacs - MD run   Mariusz Wierzbowski
  • [gmx-users] Gromacs - MD run   Mark Abraham
  • [gmx-users] Gromacs - MD run   Vytautas Rakeviius
• [gmx-users] Gcc   Anshul Lahariya
  • [gmx-users] Gcc   Mark Abraham
    • [gmx-users] Gcc   RAHUL SURESH
      • [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] Gcc   Vytautas Rakeviius
• [gmx-users] make   Anshul Lahariya
  • [gmx-users] make   Mark Abraham
    • [gmx-users] make   Anshul Lahariya
      • [gmx-users] make   Mark Abraham
  • [gmx-users] make   Vytautas Rakeviius
• [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] 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
• [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] 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] 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] 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] 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] Plotting area per lipid   Poncho Arvayo Zatarain
  • [gmx-users] Plotting area per lipid   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] PBC problem   Albert
• [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] 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] Drug moves out of the nanocarrier   faride badalkhani
  • [gmx-users] Drug moves out of the nanocarrier   Justin Lemkul
• [gmx-users] Calculating the interfacial tension between solid and liquid   Lei
• [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] Calculation of Cv   Saumyak Mukherjee
• [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] 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] Filling box with long linear molecules   Kamps, M.
  • [gmx-users] Filling box with long linear molecules   Mark Abraham
• [gmx-users] HBond for F and S   Marcelo Depólo
  • [gmx-users] HBond for F and S   Justin Lemkul
• [gmx-users] How to orientationally restrain a molecule?   Michael Shirts
• [gmx-users] HBond for F and S (Justin Lemkul)   Marcelo Depólo
• [gmx-users] User Defined Potentials   Ommair Ishaque
  • [gmx-users] User Defined Potentials   Vytautas Rakeviius
  • [gmx-users] User Defined Potentials   Justin Lemkul
• [gmx-users] Most suitable intervals of temperature in REMD   Мижээ Батсайхан
• [gmx-users] Hbond residence time   Marcelo Depólo
  • [gmx-users] Hbond residence time   Justin Lemkul
• [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] CG Graphene - dihedral problem/parameter   Sajjad Kavyani
• [gmx-users] dihedral problem - Coarse-grained graphene sheet   Sajjad Kavyani
• [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] 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] Dihedral angles Vs time (in ps)   Neha Gupta
• [gmx-users] Dihedral angles Vs time (in ps)   Quyen V. Vu
• [gmx-users] gromacs.org_gmx-users Digest, Vol 156, Issue 112   Raag Saluja
  • [gmx-users] addition of an isopeptide bond and its simulation   Justin Lemkul
• [gmx-users] protein-ligand simmulation   Aman Deep
  • [gmx-users] protein-ligand simmulation   Justin Lemkul
    • [gmx-users] protein-ligand simmulation   Aman Deep
• [gmx-users] Simulation length for measurement of viscosity in NEMD   Debraj Das
• [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] 2016.3 installation   RAHUL SURESH
• [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   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] Convert DL_POLY-4.0.8 input files to GROMACS input file   Rahul Nikhar
• [gmx-users] GAAMP parameterization   Mohsen Ramezanpour
• [gmx-users] Fraction of native contacts.   B Prakash
• [gmx-users] pressure scaling more than 1%   abhisek Mondal
• [gmx-users] Fraction of native contacts.   B Prakash
  • [gmx-users] Fraction of native contacts.   WT Ren
• [gmx-users] ERROR atom 'X' has mass 0 (state A) / 0 (state B)   Patel, Hershna
  • [gmx-users] Interactive Essential Dynamics (IED) installation: vmdnumpy module not available   Qing Lv
• [gmx-users] 2016.3 installation   RAHUL SURESH
  • [gmx-users] 2016.3 installation   Mark Abraham
• [gmx-users] Fwd: Domain decomposition error   Kashif
• [gmx-users] Regarding reading .gro file in python   Quyen V. Vu
• [gmx-users] (no subject)   Shivangi Agarwal
• [gmx-users] (no subject)   Shivangi Agarwal
  • [gmx-users] (no subject)   Mark Abraham

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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