June 2018 Archives by thread

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Starting: Fri Jun 1 01:47:50 CEST 2018
Ending: Sat Jun 30 18:15:27 CEST 2018
Messages: 455

• [gmx-users] related to box dimension : solvate protein-ligand complex   Seketoulie Keretsu
  • [gmx-users] related to box dimension : solvate protein-ligand complex   Quyen V. Vu
    • [gmx-users] related to box dimension : solvate protein-ligand complex   Justin Lemkul
• [gmx-users] How to define a vector for gangle command   delara aghaie
• [gmx-users] Thread-MPI error in GROMACS-2018   Siva Dasetty
  • [gmx-users] Thread-MPI error in GROMACS-2018   Mark Abraham
• [gmx-users] Partial charges   rose rahmani
  • [gmx-users] Partial charges   Alex
• [gmx-users] covar warning   venkat
• [gmx-users] Dangling bond error using Amber force field.   Wang, Yang
  • [gmx-users] Dangling bond error using Amber force field.   Mark Abraham
  • [gmx-users] Dangling bond error using Amber force field.   Wang, Yang
• [gmx-users] Dangling bond error using Amber force field.   Wang, Yang
  • [gmx-users] Dangling bond error using Amber force field.   Mark Abraham
    • [gmx-users] Dangling bond error using Amber force field.   Wang, Yang
• [gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer   Thomas Piggot
• [gmx-users] Water in hydrophobic core of POPC lipid bilayer   Smith, Iris
  • [gmx-users] Water in hydrophobic core of POPC lipid bilayer   Dallas Warren
    • [gmx-users] [EXT] Re: Water in hydrophobic core of POPC lipid bilayer   Smith, Iris
      • [gmx-users] [EXT] Re: Water in hydrophobic core of POPC lipid bilayer   Justin Lemkul
• [gmx-users] Cavity in the system after NVT equilibration   Alex
  • [gmx-users] Cavity in the system after NVT equilibration   Alex
    • [gmx-users] Cavity in the system after NVT equilibration   Shreyas Kaptan
• [gmx-users] How to define a vector for gangle command   delara aghaie
• [gmx-users] Groove width   spss4 at iacs.res.in
  • [gmx-users] Groove width   Alex
  • [gmx-users] Groove width   Gregory Poon
    • [gmx-users] Groove width   spss4 at iacs.res.in
  • [gmx-users] Groove width   David van der Spoel
    • [gmx-users] Groove width   mesguerran
    • [gmx-users] Groove width   spss4 at iacs.res.in
  • [gmx-users] Groove width   rajendra kumar
    • [gmx-users] Groove width   spss4 at iacs.res.in
      • [gmx-users] Groove width   rajendra kumar
      • [gmx-users] Groove width   spss4 at iacs.res.in
    • [gmx-users] Groove width   spss4 at iacs.res.in
• [gmx-users] define = -DPOSRES_B??   m g
  • [gmx-users] define = -DPOSRES_B??   Justin Lemkul
• [gmx-users] gangle command   delara aghaie
  • [gmx-users] gangle command   Justin Lemkul
• [gmx-users] How to select atoms between 2 molecules and then calculate rdf   1185201182
• [gmx-users] Box dimension   rose rahmani
  • [gmx-users] Box dimension   Alex
    • [gmx-users] Box dimension   Mark Abraham
      • [gmx-users] Box dimension   Alex
      • [gmx-users] Box dimension   Mark Abraham
      • [gmx-users] Box dimension   Alex
      • [gmx-users] Box dimension   rose rahmani
      • [gmx-users] Box dimension   rose rahmani
      • [gmx-users] Box dimension   Alex
      • [gmx-users] Box dimension   rose rahmani
      • [gmx-users] Box dimension   rose rahmani
    • [gmx-users] Box dimension   Viveca Lindahl
• [gmx-users] Centering the molecule   spss4 at iacs.res.in
  • [gmx-users] Centering the molecule   Mark Abraham
• [gmx-users] spc.itp file and flexspc.itp   Anjana Jayasinghe
  • [gmx-users] spc.itp file and flexspc.itp   Justin Lemkul
    • [gmx-users] spc.itp file and flexspc.itp   Anjana Jayasinghe
      • [gmx-users] spc.itp file and flexspc.itp   Justin Lemkul
• [gmx-users] Doubts in visualisation of sdf output   Apramita Chand
  • [gmx-users] Doubts in visualisation of sdf output   Justin Lemkul
• [gmx-users] Fwd: Centering a molecule   spss4 at iacs.res.in
• [gmx-users] Distance between the atoms greater than Box length   Dilip.H.N
  • [gmx-users] Distance between the atoms greater than Box length   Dilip.H.N
    • [gmx-users] Distance between the atoms greater than Box length   Mark Abraham
      • [gmx-users] Distance between the atoms greater than Box length   Quyen V. Vu
      • [gmx-users] Distance between the atoms greater than Box length   Mark Abraham
      • [gmx-users] Distance between the atoms greater than Box length   Dilip.H.N
• [gmx-users] md simulation of oil hydrocarbon   Vytautas Rakeviius
• [gmx-users] regarding rmsd calculation   SHAHEE ISLAM
  • [gmx-users] regarding rmsd calculation   Justin Lemkul
    • [gmx-users] regarding rmsd calculation   SHAHEE ISLAM
      • [gmx-users] regarding rmsd calculation   SHAHEE ISLAM
      • [gmx-users] regarding rmsd calculation   Justin Lemkul
• [gmx-users] regarding free energy perturbation   zhangw
• [gmx-users] Doubts in visualisation of sdf output   Apramita Chand
  • [gmx-users] Doubts in visualisation of sdf output   Justin Lemkul
• [gmx-users] Coarse Grained (Empty space In water)   Samieegohar, Mohammadreza
  • [gmx-users] Coarse Grained (Empty space In water)   Kevin Boyd
    • [gmx-users] [SPAM]: Re: Coarse Grained (Empty space In water)   Samieegohar, Mohammadreza
      • [gmx-users] [SPAM]: Re: Coarse Grained (Empty space In water)   Justin Lemkul
• [gmx-users] Doubts in visualisation of sdf output   Apramita Chand
  • [gmx-users] Doubts in visualisation of sdf output   Justin Lemkul
• [gmx-users] gmx 5.1.4, cuda9, Unsupported gpu architecture 'compute_20'   Tamas Hegedus
  • [gmx-users] gmx 5.1.4, cuda9, Unsupported gpu architecture 'compute_20'   Mark Abraham
    • [gmx-users] gmx 5.1.4, cuda9, Unsupported gpu architecture 'compute_20'   Tamas Hegedus
• [gmx-users] How can I measure RDC fitness?   Hanin Omar
• [gmx-users] regarding free energy perturbation   zhangw
• [gmx-users] How to add distance and angle restraints in the topology file?   Qing Liu
  • [gmx-users] How to add distance and angle restraints in the topology file?   Qinghua Liao
  • [gmx-users] How to add distance and angle restraints in the topology file?   Justin Lemkul
• [gmx-users] keep the size of simulation box constant in one direction   凌未风
  • [gmx-users] keep the size of simulation box constant in one direction   Alex
• [gmx-users] Extension on different machines (CPU/GPU   Nicolas Cheron
  • [gmx-users] Extension on different machines (CPU/GPU   Mark Abraham
    • [gmx-users] Extension on different machines (CPU/GPU   Nicolas Cheron
• [gmx-users] mdrun -rerun   venkat
  • [gmx-users] mdrun -rerun   Mark Abraham
• [gmx-users] Virtual sites causing npt simulation instabilities   Eisenhart, Andrew (eisenhaw)
  • [gmx-users] Virtual sites causing npt simulation instabilities   Justin Lemkul
    • [gmx-users] Virtual sites causing npt simulation instabilities   Eisenhart, Andrew (eisenhaw)
      • [gmx-users] Virtual sites causing npt simulation instabilities   Justin Lemkul
      • [gmx-users] Virtual sites causing npt simulation instabilities   Eisenhart, Andrew (eisenhaw)
      • [gmx-users] Virtual sites causing npt simulation instabilities   Justin Lemkul
      • [gmx-users] Virtual sites causing npt simulation instabilities   Eisenhart, Andrew (eisenhaw)
      • [gmx-users] Virtual sites causing npt simulation instabilities   Justin Lemkul
• [gmx-users] mdp-settings for charmm36 and lipid apl values   Muthukumaran Rajagopalan
  • [gmx-users] mdp-settings for charmm36 and lipid apl values   Justin Lemkul
• [gmx-users] Doubts regarding g_select   Apramita Chand
• [gmx-users] Doubts in g_select and g_trjconv   Apramita Chand
• [gmx-users] Calculations of preferential interaction coefficient   Apramita Chand
• [gmx-users] bundling four water molecules   Alex
• [gmx-users] total energy of a protein   Saumyak Mukherjee
  • [gmx-users] total energy of a protein   Justin Lemkul
• [gmx-users] Charge groups in poly methyl methacrylic acid   Debadutta Prusty
  • [gmx-users] Charge groups in poly methyl methacrylic acid   Alex
  • [gmx-users] Charge groups in poly methyl methacrylic acid   David van der Spoel
• [gmx-users] gromacs.org_gmx-users Digest, Vol 170, Issue 27   Muthukumaran Rajagopalan
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 170, Issue 27   Justin Lemkul
• [gmx-users] Fwd: H2SO4 (H2PO4-) force field   Ondrej Kroutil
  • [gmx-users] Fwd: H2SO4 (H2PO4-) force field   Felipe Merino
  • [gmx-users] Fwd: H2SO4 (H2PO4-) force field   David van der Spoel
• [gmx-users] Autocorrelation functions for distance vector   Apramita Chand
  • [gmx-users] Autocorrelation functions for distance vector   David van der Spoel
• [gmx-users] g_trjorder output   Apramita Chand
  • [gmx-users] g_trjorder output   Justin Lemkul
• [gmx-users] What are SAsteps?   Rafa Risnik
• [gmx-users] Position restrain in umbrella sampling   rose rahmani
  • [gmx-users] Position restrain in umbrella sampling   Justin Lemkul
    • [gmx-users] Position restrain in umbrella sampling   rose rahmani
• [gmx-users] question about Gromacs 5.0.4 build   Susan Chacko
• [gmx-users] Surface Tension: equation and tail corrections?   Eric Smoll
• [gmx-users] Reg. thread MPI errror with gromacs-2016.4   "가디 장데부 고라크스나트"
• [gmx-users] Reg. thread MPI errror with gromacs-2016.4   "가디 장데부 고라크스나트"
• [gmx-users] GROMACS/CPMD wavefunction optimize   limingru
• [gmx-users] PhD position available in Lyon (France)   Luca Monticelli
• [gmx-users] semiisotropic pressure coupling error   Oguz Gurbulak
  • [gmx-users] semiisotropic pressure coupling error   Justin Lemkul
• [gmx-users] g_select or g_trjorder   Apramita Chand
  • [gmx-users] Fwd: g_select or g_trjorder   Apramita Chand
• [gmx-users] AMBER ff14 RNA force field   Jochen Hub
• [gmx-users] Fibril not restrained?   Angelina Malagodi
  • [gmx-users] Fibril not restrained?   Kevin Boyd
  • [gmx-users] Fibril not restrained?   Justin Lemkul
• [gmx-users] Rupture force definition   Rakesh Mishra
  • [gmx-users] Rupture force definition   Justin Lemkul
    • [gmx-users] Rupture force definition   Rakesh Mishra
      • [gmx-users] Rupture force definition   Justin Lemkul
• [gmx-users] Regarding rigidity of water models   Dilip.H.N
  • [gmx-users] Regarding rigidity of water models   João Henriques
• [gmx-users] Handling PBC for Free energy calculations in plumed patched Gromacs   Abhinandan Panigrahi
• [gmx-users] Problem with freeze groups   Ondrej Kroutil
• [gmx-users] Unable to make install Gromacs on Cygwin   Matthew Fisher
  • [gmx-users] Unable to make install Gromacs on Cygwin   Shrinath Kumar
• [gmx-users] Gromacs do oscillatory shear/box deformation?   Smith, Micholas D.
• [gmx-users] REMD   Eric Smoll
• [gmx-users] how to set temperature-lambdas   Qasim Pars
• [gmx-users] CPMD/GROMACS wavefunction optimization   limingru
• [gmx-users] secondary structure element constraining   alex rayevsky
  • [gmx-users] secondary structure element constraining   Justin Lemkul
• [gmx-users] Hexagonal Phase modelling   Anjana Jayasinghe
  • [gmx-users] Hexagonal Phase modelling   David van der Spoel
• [gmx-users] Problem in generation of tpr file   Rahma Dahmani
  • [gmx-users] Problem in generation of tpr file   Alex
• [gmx-users] Doubts in combination rules 2 and 3   Apramita Chand
  • [gmx-users] Doubts in combination rules 2 and 3   Justin Lemkul
  • [gmx-users] Doubts in combination rules 2 and 3   David van der Spoel
• [gmx-users] gromacs.org_gmx-users Digest, Vol 170, Issue 39   Rahma Dahmani
  • [gmx-users] Problem in generation of tpr file   Justin Lemkul
    • [gmx-users] Problem in generation of tpr file   Alex
      • [gmx-users] Problem in generation of tpr file   Justin Lemkul
• [gmx-users] Increase of 5-helix count   Sundari
  • [gmx-users] Increase of 5-helix count   Sundari
    • [gmx-users] Increase of 5-helix count   Mark Abraham
• [gmx-users] Umbrella saming   rose rahmani
• [gmx-users] water flow   Alex
  • [gmx-users] water flow   Justin Lemkul
    • [gmx-users] water flow   Alex
      • [gmx-users] water flow   Justin Lemkul
      • [gmx-users] water flow   Alex
      • [gmx-users] water flow   Alex
• [gmx-users] Doubts in combination rules 2 and 3   Apramita Chand
  • [gmx-users] Doubts in combination rules 2 and 3   Mark Abraham
• [gmx-users] Why do g_trjconv and g_select give different results for the same cut-off   Apramita Chand
  • [gmx-users] Why do g_trjconv and g_select give different results for the same cut-off   Mark Abraham
• [gmx-users] secondary structure query   SHAHEE ISLAM
  • [gmx-users] secondary structure query   Soham Sarkar
    • [gmx-users] secondary structure query   SHAHEE ISLAM
  • [gmx-users] secondary structure query   Justin Lemkul
    • [gmx-users] secondary structure query   SHAHEE ISLAM
• [gmx-users] secondary structure element constraining   alex rayevsky
• [gmx-users] secondary structure element constraining   alex rayevsky
  • [gmx-users] secondary structure element constraining   Justin Lemkul
• [gmx-users] Questions about the output of the pulling code   1185201182
• [gmx-users] g_rdf doubts   Apramita Chand
• [gmx-users] some confusion about cut-off radius in parameters   张明敏
  • [gmx-users] some confusion about cut-off radius in parameters   Mark Abraham
• [gmx-users] Methodology of dPCA   Seera Suryanarayana
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
  • [gmx-users] Lennrd-Jones potential in Gromos force field   Mark Abraham
• [gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 118   niki24 at tezu.ernet.in
  • [gmx-users] AMP_itp   Justin Lemkul
• [gmx-users] High pressure   Alex
  • [gmx-users] High pressure   Shreyas Kaptan
    • [gmx-users] High pressure   Alex
      • [gmx-users] High pressure   Shreyas Kaptan
• [gmx-users] GTX 960 vs Tesla K40   Alex
  • [gmx-users] GTX 960 vs Tesla K40   paul buscemi
    • [gmx-users] GTX 960 vs Tesla K40   Alex
      • [gmx-users] GTX 960 vs Tesla K40   Alex
      • [gmx-users] GTX 960 vs Tesla K40   Szilárd Páll
      • [gmx-users] GTX 960 vs Tesla K40   Alex
      • [gmx-users] GTX 960 vs Tesla K40   Szilárd Páll
      • [gmx-users] GTX 960 vs Tesla K40   Alex
      • [gmx-users] GTX 960 vs Tesla K40   Szilárd Páll
      • [gmx-users] GTX 960 vs Tesla K40   Alex
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
  • [gmx-users] Lennrd-Jones potential in Gromos force field   Justin Lemkul
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
  • [gmx-users] Lennrd-Jones potential in Gromos force field   Justin Lemkul
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
• [gmx-users] how to improve computing?   Владимир Богданов
  • [gmx-users] how to improve computing?   Alex
  • [gmx-users] how to improve computing?   Szilárd Páll
    • [gmx-users] how to improve computing?   Владимир Богданов
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
  • [gmx-users] Lennrd-Jones potential in Gromos force field   Mark Abraham
• [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
  • [gmx-users] Lennrd-Jones potential in Gromos force field   Mark Abraham
    • [gmx-users] Lennrd-Jones potential in Gromos force field   Alex
      • [gmx-users] Lennrd-Jones potential in Gromos force field   Mark Abraham
    • [gmx-users] Lennrd-Jones potential in Gromos force field   kordzadeh at aut.ac.ir
• [gmx-users] Surface tension calculations via gmx energy?   Own 12121325
• [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
  • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Justin Lemkul
    • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Justin Lemkul
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Justin Lemkul
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Justin Lemkul
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Mark Abraham
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Mark Abraham
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
      • [gmx-users] Continuation of the gromacs job using gmx convert-tpr   Own 12121325
• [gmx-users] breaking lipid A tail in minimization   Karim Mahnam
  • [gmx-users] breaking lipid A tail in minimization   Thomas Piggot
    • [gmx-users] breaking lipid A tail in minimization   Thomas Piggot
• [gmx-users] -rerun input trajectory for calculating electrostatic energy   Apramita Chand
• [gmx-users] GROMACS 2018.2 patch release available   Mark Abraham
• [gmx-users] About the "g_contacts" program for gromacs   ABEL Stephane
  • [gmx-users] About the "g_contacts" program for gromacs   Shreyas Kaptan
  • [gmx-users] About the "g_contacts" program for gromacs   Pedro Deira
• [gmx-users] gmx potential for membrane electrostatic potential   Sahithya S Iyer
• [gmx-users] Error : symtab get_symtab_handle 367 not found   ARNAB MUKHERJEE
• [gmx-users] deform   Alex
• [gmx-users] Regarding the code for HB auto-correlation function code   David van der Spoel
• [gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2   Florian Nachon
  • [gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2   Владимир Богданов
    • [gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2   Kevin Boyd
      • [gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2   Florian Nachon
    • [gmx-users] Compilation issue, MacOS 10.13.5 - Gromacs 2018 - CUDA 9.2   Florian Nachon
• [gmx-users] Error in -rerun   Apramita Chand
• [gmx-users] Protein-surface Binding energy   Neda Rafiee
• [gmx-users] conversion issue from .str to .itp   abhisek Mondal
  • [gmx-users] conversion issue from .str to .itp   Justin Lemkul
• [gmx-users] help me in understanding PCA   Upendra N
  • [gmx-users] help me in understanding PCA   Upendra N
• [gmx-users] membrane-protein system by using charmm36 ff   Olga Press
  • [gmx-users] membrane-protein system by using charmm36 ff   Shreyas Kaptan
    • [gmx-users] membrane-protein system by using charmm36 ff   Olga Press
      • [gmx-users] membrane-protein system by using charmm36 ff   Alex
      • [gmx-users] membrane-protein system by using charmm36 ff   Alex
      • [gmx-users] membrane-protein system by using charmm36 ff   Olga Press
      • [gmx-users] membrane-protein system by using charmm36 ff   Alex
      • [gmx-users] membrane-protein system by using charmm36 ff   Shreyas Kaptan
• [gmx-users] gromacs.org_gmx-users Digest, Vol 170, Issue 57   ABEL Stephane
• [gmx-users] domain decomposition error   Chhaya Singh
  • [gmx-users] domain decomposition error   Mark Abraham
• [gmx-users] from unit cell to supercell   Bukunmi Akinwunmi
• [gmx-users] Heavy water H-H radial distribution function   Haelee Hyun
  • [gmx-users] Heavy water H-H radial distribution function   Justin Lemkul
• [gmx-users] Protein potential energy   Ming Tang
  • [gmx-users] Protein potential energy   Justin Lemkul
• [gmx-users] Error : symtab get_symtab_handle 367 not found   ARNAB MUKHERJEE
• [gmx-users] FEP from .top gathered with TOPOGROMACS from NAMD-CHARMM MD   Francesco Pietra
• [gmx-users] FEL generated by dPCA and radius of gyrationa vs RMSD   Seera Suryanarayana
  • [gmx-users] FEL generated by dPCA and radius of gyrationa vs RMSD   David van der Spoel
• [gmx-users] Restarting the job on a remote cluster   sai manohar
  • [gmx-users] Restarting the job on a remote cluster   Quyen V. Vu
• [gmx-users] angle calculation   SHAHEE ISLAM
• [gmx-users] Only 2 ns/day   Alex
  • [gmx-users] Only 2 ns/day   Kevin Boyd
• [gmx-users] Shell (Drude) model for polarization in GROMACS   Eric Smoll
  • [gmx-users] Shell (Drude) model for polarization in GROMACS   Justin Lemkul
    • [gmx-users] Shell (Drude) model for polarization in GROMACS   Eric Smoll
      • [gmx-users] Shell (Drude) model for polarization in GROMACS   Justin Lemkul
      • [gmx-users] Shell (Drude) model for polarization in GROMACS   Eric Smoll
      • [gmx-users] Shell (Drude) model for polarization in GROMACS   Justin Lemkul
• [gmx-users] spatial restraints   Stefano Guglielmo
  • [gmx-users] spatial restraints   Simon Kit Sang Chu
    • [gmx-users] spatial restraints   Stefano Guglielmo
• [gmx-users] nvt.mdp for water surface tension   Rana Ali
• [gmx-users] Error running mdrun (v-5.1.4) on a linux cluster.   Abhishek Acharya
  • [gmx-users] Error running mdrun (v-5.1.4) on a linux cluster.   Mark Abraham
    • [gmx-users] Error running mdrun (v-5.1.4) on a linux cluster.   Abhishek Acharya
• [gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section   Gonzalez Fernandez, Cristina
  • [gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section   Justin Lemkul
    • [gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section   Gonzalez Fernandez, Cristina
• [gmx-users] analysis of angle between two beta sheet of martini protein cg   SHAHEE ISLAM
• [gmx-users] Error : symtab get_symtab_handle 367 not found   ARNAB MUKHERJEE
• [gmx-users] Gromacs tabulated potentials for CG models   Sudip Das
  • [gmx-users] Gromacs tabulated potentials for CG models   Sudip Das
• [gmx-users] .mdp file for calculating surface tension of water   Rana Ali
  • [gmx-users] .mdp file for calculating surface tension of water   David van der Spoel
    • [gmx-users] .mdp file for calculating surface tension of water   Rana Ali
• [gmx-users] GROMACS2016.1 Compiling with ORCA   S M Bargeen Turzo
  • [gmx-users] GROMACS2016.1 Compiling with ORCA   Justin Lemkul
• [gmx-users] How to generate multiple diverse trajectories from one checkpoint file   Bin Zhang
• [gmx-users] Force Field for Small Molecule   Wahl, David M
  • [gmx-users] Force Field for Small Molecule   Quyen V. Vu
  • [gmx-users] Force Field for Small Molecule   Quyen V. Vu
  • [gmx-users] Force Field for Small Molecule   Justin Lemkul
• [gmx-users] Question regarding running Gromacs new graphics card on Centos   Tony Myung Keun Cho
  • [gmx-users] Question regarding running Gromacs new graphics card on Centos   Mark Abraham
• [gmx-users] tilt angle   Fa Hamedi
  • [gmx-users] tilt angle   Shreyas Kaptan
• [gmx-users] S-nitrosoylated proteins   Amir Zeb
  • [gmx-users] S-nitrosoylated proteins   Vytautas Rakeviius
• [gmx-users] Magnetic field in GROMACS   David van der Spoel
  • [gmx-users] Magnetic field in GROMACS   Alex
    • [gmx-users] Magnetic field in GROMACS   David van der Spoel
      • [gmx-users] Magnetic field in GROMACS   Ali Ahmed
      • [gmx-users] Magnetic field in GROMACS   حبيبة علي
      • [gmx-users] Magnetic field in GROMACS   Alex
      • [gmx-users] Magnetic field in GROMACS   حبيبة علي
      • [gmx-users] Magnetic field in GROMACS   Alex
      • [gmx-users] Magnetic field in GROMACS   حبيبة علي
• [gmx-users] Deuterium atoms   Hermann, Johannes
  • [gmx-users] Deuterium atoms   Vytautas Rakeviius
    • [gmx-users] Deuterium atoms   Hermann, Johannes
      • [gmx-users] Deuterium atoms   Justin Lemkul
      • [gmx-users] Deuterium atoms   Hermann, Johannes
      • [gmx-users] Deuterium atoms   Justin Lemkul
      • [gmx-users] Deuterium atoms   Hermann, Johannes
      • [gmx-users] Deuterium atoms   Justin Lemkul
      • [gmx-users] Deuterium atoms   Smith, Micholas D.
• [gmx-users] opnempi   Stefano Guglielmo
  • [gmx-users] opnempi   Benson Muite
    • [gmx-users] opnempi   Stefano Guglielmo
  • [gmx-users] opnempi   Mark Abraham
• [gmx-users] Heavy water H-H radial distribution function   Justin Lemkul
• [gmx-users] (no subject)   Chhaya Singh
  • [gmx-users] (no subject)   Vytautas Rakeviius
• [gmx-users] FFTW compiler error: no such instruction   Mateusz Bieniek
  • [gmx-users] FFTW compiler error: no such instruction   Mateusz Bieniek
• [gmx-users] fatal error with mpi   Stefano Guglielmo
  • [gmx-users] fatal error with mpi   Mark Abraham
    • [gmx-users] fatal error with mpi   Stefano Guglielmo
      • [gmx-users] fatal error with mpi   Mark Abraham
      • [gmx-users] fatal error with mpi   Stefano Guglielmo
      • [gmx-users] fatal error with mpi   Mark Abraham
      • [gmx-users] fatal error with mpi   Stefano Guglielmo
      • [gmx-users] fatal error with mpi   Mark Abraham
• [gmx-users] Implicit solvent   Chhaya Singh
• [gmx-users] Dihedrals/Impropers   Salman Zarrini
  • [gmx-users] Dihedrals/Impropers   Justin Lemkul
    • [gmx-users] Dihedrals/Impropers   Thomas Piggot
• [gmx-users] GMX Error after CUDA update   Krzysztof Kolman
  • [gmx-users] GMX Error after CUDA update   Mark Abraham
    • [gmx-users] GMX Error after CUDA update   Krzysztof Kolman
• [gmx-users] Regarding -nmol option   Apramita Chand
  • [gmx-users] Regarding -nmol option   Justin Lemkul
• [gmx-users] Error energy minimization: No such moleculetype NA   Gonzalez Fernandez, Cristina
  • [gmx-users] Error energy minimization: No such moleculetype NA   Mark Abraham
• [gmx-users] different PMF results using MPI   Srinivasa Ramisetti
  • [gmx-users] different PMF results using MPI   Mark Abraham
    • [gmx-users] different PMF results using MPI   Srinivasa Ramisetti
• [gmx-users] increasing md run speed   neelam wafa
  • [gmx-users] increasing md run speed   Mark Abraham
    • [gmx-users] increasing md run speed   neelam wafa
      • [gmx-users] increasing md run speed   Mark Abraham
• [gmx-users] Regarding walls in CG MD   Mijiddorj B
• [gmx-users] Doubt regarding gmx msd   sanjeet kumar singh ch16d012
• [gmx-users] Implicit solvent   Chhaya Singh
  • [gmx-users] Implicit solvent   Mark Abraham
• [gmx-users] implicit solvent error   Chhaya Singh
  • [gmx-users] implicit solvent error   Alex
    • [gmx-users] implicit solvent error   Chhaya Singh
      • [gmx-users] implicit solvent error   Alex
      • [gmx-users] implicit solvent error   Chhaya Singh
• [gmx-users] Distance vector file for g_analyze: incompatibility of normal and vector   Apramita Chand
• [gmx-users] Is the Amber14sb ff on the gromacs website actually amber14sb force field   Evelyne Deplazes
  • [gmx-users] Is the Amber14sb ff on the gromacs website actually amber14sb force field   Quyen V. Vu
• [gmx-users] Regarding wall settings in CG MD   Mijiddorj B
• [gmx-users] Principal component analysis   Upendra N
• [gmx-users] Gromacs-fda tool scalar force value sign   Yuliana Bosken
• [gmx-users] Gromacs simulation system size   tm23
  • [gmx-users] Gromacs simulation system size   Justin Lemkul
• [gmx-users] [gmx-developers] How to get IEM of a protein   Justin Lemkul
• [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   Dallas Warren
  • [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   David van der Spoel
  • [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   Justin Lemkul
    • [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   Mark Abraham
    • [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   Dallas Warren
      • [gmx-users] Free Energy Calculations of Octanol in Octanol, What is the Issue?   Justin Lemkul
• [gmx-users] name of the residue contact between two proteins   SHAHEE ISLAM
  • [gmx-users] name of the residue contact between two proteins   SHAHEE ISLAM
• [gmx-users] Essential dynamics   Shreyas Kaptan
  • [gmx-users] Essential dynamics   Kutzner, Carsten
    • [gmx-users] Essential dynamics   Shreyas Kaptan
• [gmx-users] protein with ions   Владимир Богданов
  • [gmx-users] protein with ions   Justin Lemkul
• [gmx-users] Wall parameters   Mijiddorj B
• [gmx-users] Fwd: Ionic liquid and CNTs   Candy Deck
  • [gmx-users] Fwd: Ionic liquid and CNTs   Alex
    • [gmx-users] Fwd: Ionic liquid and CNTs   Candy Deck
      • [gmx-users] Fwd: Ionic liquid and CNTs   Alex
      • [gmx-users] Fwd: Ionic liquid and CNTs   Candy Deck
• [gmx-users] Potential energy reported by gmx energy command   atb files
  • [gmx-users] Potential energy reported by gmx energy command   David van der Spoel
• [gmx-users] Umbrella sampling   rose rahmani
• [gmx-users] Use different version of tpr in the same simulation... possible ?   ABEL Stephane
  • [gmx-users] Use different version of tpr in the same simulation... possible ?   Justin Lemkul
• [gmx-users] Invalid order for directive atomtypes for ligands   Qasim Pars
  • [gmx-users] Invalid order for directive atomtypes for ligands   Justin Lemkul
• [gmx-users] Hessian matrix within gmx mdrun   Adriaan Riet
• [gmx-users] GROMACS job opportunity: Scientific programmer at KTH Royal Institute of Technology (July 19 deadline)   Erik Lindahl
• [gmx-users] Updated tutorials and new website   Justin Lemkul
  • [gmx-users] Updated tutorials and new website   paul buscemi
    • [gmx-users] Updated tutorials and new website   Mark Abraham
• [gmx-users] Pulled group moves randomly while doing umbrella sampling   Chenlin Lu
• [gmx-users] Pulled group moves randomly while doing umbrella sampling   Chenlin Lu
• [gmx-users] Pulled group moves randomly while doing umbrella sampling   Chenlin Lu
• [gmx-users] Fatal error: Rerun .trr trajectory   Hassan Aaryapour
• [gmx-users] non-bounded parameters   Neda Rafiee
• [gmx-users] radial distribution function   kordzadeh at aut.ac.ir

Last message date: Sat Jun 30 18:15:27 CEST 2018
Archived on: Sat Jun 30 18:15:28 CEST 2018

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