February 2017 Archives by thread

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Starting: Wed Feb 1 01:48:15 CET 2017
Ending: Tue Feb 28 22:26:51 CET 2017
Messages: 547

[gmx-users] Inconsistency in user group Amir Zeb
- [gmx-users] Inconsistency in user group Justin Lemkul
  - [gmx-users] Inconsistency in user group Amir Zeb
[gmx-users] OPLS-AA nonbonded force field format Shi Li
- [gmx-users] OPLS-AA nonbonded force field format Justin Lemkul
  - [gmx-users] OPLS-AA nonbonded force field format David van der Spoel
[gmx-users] OPLS-AA nonbonded force field format Shi Li
[gmx-users] Propylene Carbonate Sencer Selcuk
- [gmx-users] Propylene Carbonate Sotirios Dionysios I. Papadatos
  - [gmx-users] Propylene Carbonate Sencer Selcuk
    - [gmx-users] Propylene Carbonate Justin Lemkul
    - [gmx-users] Propylene Carbonate Sencer Selcuk
    - [gmx-users] Propylene Carbonate Justin Lemkul
[gmx-users] extending the simulation chemocev marker
- [gmx-users] extending the simulation Mark Abraham
[gmx-users] FE+3 simulation Shumaila Khan
[gmx-users] g_rdf_mpi going out of memory Aditya Gupta
[gmx-users] ForceField error Mehreen Jan
[gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) Christopher Neale
- [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) Thomas Piggot
  - [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) Christopher Neale
- [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) XAvier Periole
  - [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) Christopher Neale
    - [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) Thomas Piggot
    - [gmx-users] how to arbitrarily increase the XY size of an existing bilayer system (adding more lipids) XAvier Periole
[gmx-users] Multiple conformations vs different initial velocity Nikhil Maroli
[gmx-users] unfragmenting molecule in a trajectory Irem Altan
- [gmx-users] unfragmenting molecule in a trajectory Irem Altan
  - [gmx-users] unfragmenting molecule in a trajectory Justin Lemkul
    - [gmx-users] unfragmenting molecule in a trajectory Irem Altan
[gmx-users] Reflecting Boundary Condition atanu das
- [gmx-users] Reflecting Boundary Condition David van der Spoel
  - [gmx-users] Reflecting Boundary Condition atanu das
[gmx-users] Analysis of sumulation by gromacs. maria khan
- [gmx-users] Analysis of sumulation by gromacs. shweta singh
[gmx-users] posre.itp for dimer protein chemocev marker
- [gmx-users] posre.itp for dimer protein Erik Marklund
[gmx-users] Distance-force relationship on pulling Pablo Galaz Dávison
[gmx-users] 'conditional' pull during MD simulation Saheem Zaidi
- [gmx-users] 'conditional' pull during MD simulation Alex
- [gmx-users] 'conditional' pull during MD simulation Christopher Neale
[gmx-users] Good force field for protein/metalloenzyme - GROMOS96 53a5, GROMOS96 43a2 or OPLS-AA/L Chintan Bhagat
[gmx-users] Positions for Ph.D. candidates in biomolecular modeling Jan Brezovsky
[gmx-users] Post-analysis of residue residue interactions CROUZY Serge 119222
- [gmx-users] Post-analysis of residue residue interactions Mark Abraham
  - [gmx-users] Post-analysis of residue residue interactions CROUZY Serge 119222
    - [gmx-users] Post-analysis of residue residue interactions Mark Abraham
[gmx-users] Clarification please Paul Schlesinger
- [gmx-users] Clarification please Mark Abraham
[gmx-users] Linker error during GMX make Clemens Grimm
[gmx-users] Errors in building GMX 5.1.x on Redhat 6.5 (a lot of "Undefined reference to ..") Qing Lv
- [gmx-users] Errors in building GMX 5.1.x on Redhat 6.5 (a lot of "Undefined reference to ..") Mark Abraham
  - [gmx-users] Errors in building GMX 5.1.x on Redhat 6.5 (a lot of "Undefined reference to ..") Qing Lv
[gmx-users] Installing DSSP soumadwip ghosh
- [gmx-users] Installing DSSP Mark Abraham
  - [gmx-users] Installing DSSP masoud keramati
- [gmx-users] Installing DSSP Erik Marklund
[gmx-users] MD simulation of peptide amphiphile using CG method leila karami
- [gmx-users] MD simulation of peptide amphiphile using CG method Peter Kroon
[gmx-users] gromacs ettor chemocev marker
- [gmx-users] gromacs ettor Mark Abraham
[gmx-users] MD simulation of peptide amphiphile using CG method leila karami
- [gmx-users] MD simulation of peptide amphiphile using CG method Peter Kroon
  - [gmx-users] MD simulation of peptide amphiphile using CG method Graham J.A.
[gmx-users] Gromacs + Plumed parallel nikolaev at spbau.ru
- [gmx-users] Gromacs + Plumed parallel Mark Abraham
[gmx-users] MD simulation of peptide amphiphile using CG method leila karami
- [gmx-users] MD simulation of peptide amphiphile using CG method Graham J.A.
[gmx-users] problems of display the gro/trr structure in VMD sunyeping
[gmx-users] Fw: Topology error Shumaila Khan
[gmx-users] Fw: Topology error Shumaila Khan
[gmx-users] Topology error Mehreen Jan
- [gmx-users] Topology error Justin Lemkul
  - [gmx-users] Topology error Sotirios Dionysios I. Papadatos
[gmx-users] how to reimage PBC based on distance to a given selection without recentering or otherwise changing atomic coordinates Christopher Neale
- [gmx-users] how to reimage PBC based on distance to a given selection without recentering or otherwise changing atomic coordinates Mark Abraham
  - [gmx-users] how to reimage PBC based on distance to a given selection without recentering or otherwise changing atomic coordinates Christopher Neale
[gmx-users] Question Regarding Hydrogen Database Error Elise White
- [gmx-users] Question Regarding Hydrogen Database Error Justin Lemkul
[gmx-users] Question Regarding Hydrogen Database Error Elise White
- [gmx-users] Question Regarding Hydrogen Database Error Justin Lemkul
- [gmx-users] Question Regarding Hydrogen Database Error Elise White
  - [gmx-users] Question Regarding Hydrogen Database Error Justin Lemkul
[gmx-users] GMX-PLUMED speed XAvier Periole
- [gmx-users] GMX-PLUMED speed Justin Lemkul
  - [gmx-users] GMX-PLUMED speed XAvier Periole
- [gmx-users] GMX-PLUMED speed jkrieger at mrc-lmb.cam.ac.uk
  - [gmx-users] GMX-PLUMED speed Szilárd Páll
    - [gmx-users] GMX-PLUMED speed Szilárd Páll
[gmx-users] modelling of calcium ions Mahboobeh Eslami
- [gmx-users] modelling of calcium ions Justin Lemkul
  - [gmx-users] modelling of calcium ions Christopher Neale
[gmx-users] Question Regarding Hydrogen Database Error Elise White
[gmx-users] PROTEIN LIGAND SIMULATION DYNAMICS Subashini .K
[gmx-users] Block Copolymer NIKHIL JOSHI
- [gmx-users] Block Copolymer Justin Lemkul
[gmx-users] How to connect ligating residues ?? Mehreen Jan
- [gmx-users] How to connect ligating residues ?? Justin Lemkul
[gmx-users] How to link connections to ligating residues? Shumaila Khan
[gmx-users] Membrane cutt-offs Neda Rafiee
- [gmx-users] Membrane cutt-offs Catarina A. Carvalheda dos Santos
  - [gmx-users] Membrane cutt-offs Neda Rafiee
[gmx-users] Periodicity in x-y plane Neda Rafiee
[gmx-users] Periodicity in x-y plane (Neda Rafiee) Björn Sommer
- [gmx-users] Periodicity in x-y plane (Neda Rafiee) Neda Rafiee
[gmx-users] INDEX Subashini .K
- [gmx-users] INDEX Erik Marklund
  - [gmx-users] INDEX Subashini .K
[gmx-users] OPLS-AA forcefield for perfluoroalkanes Pedro Morgado
[gmx-users] gromacs installing problems with "cmake .." Zhang, Cheng
- [gmx-users] gromacs installing problems with "cmake .." Mark Abraham
[gmx-users] Why the individual interaction potentials are additive? ibrahim khalil
- [gmx-users] Why the individual interaction potentials are additive? Mark Abraham
[gmx-users] Force field for Cobalt topology?? Amir Zeb
- [gmx-users] Force field for Cobalt topology?? Justin Lemkul
[gmx-users] constraining CoM of two proteins individually Irem Altan
- [gmx-users] constraining CoM of two proteins individually Justin Lemkul
  - [gmx-users] constraining CoM of two proteins individually Irem Altan
    - [gmx-users] constraining CoM of two proteins individually Justin Lemkul
[gmx-users] Vibrational, rotational and translational energy qasimpars at gmail.com
- [gmx-users] Vibrational, rotational and translational energy David van der Spoel
[gmx-users] Fwd: Gromacs+Drude+Plumed patch issue Christian Jorgensen
- [gmx-users] Fwd: Gromacs+Drude+Plumed patch issue Justin Lemkul
[gmx-users] pull code Umbrella virginia miguel
[gmx-users] modelling of calcium ions Mahboobeh Eslami
- [gmx-users] modelling of calcium ions Justin Lemkul
[gmx-users] Fw: modelling of calcium ions Mahboobeh Eslami
[gmx-users] How to choose z component of two groups Мижээ Батсайхан
- [gmx-users] How to choose z component of two groups Justin Lemkul
[gmx-users] How to connect ligating residues ?? Mehreen Jan
[gmx-users] how to connect ligating residues? Shumaila Khan
[gmx-users] How to connect ligating residues ?? Mehreen Jan
[gmx-users] how to link connections to ligating residues Shumaila Khan
- [gmx-users] how to link connections to ligating residues Justin Lemkul
[gmx-users] Ignoring H-atoms. maria khan
- [gmx-users] Ignoring H-atoms. Amir Zeb
  - [gmx-users] Ignoring H-atoms. Erik Marklund
    - [gmx-users] Ignoring H-atoms. Amir Zeb
    - [gmx-users] Ignoring H-atoms. Justin Lemkul
[gmx-users] How to connect ligating residues ?? Mehreen Jan
[gmx-users] Questions Regarding principal components analysis Apramita Chand
- [gmx-users] Questions Regarding principal components analysis Catarina A. Carvalheda dos Santos
[gmx-users] Regarding topology... Dilip H N
- [gmx-users] Regarding topology... Dilip H N
  - [gmx-users] Regarding topology... Mark Abraham
    - [gmx-users] Regarding topology... Dilip H N
[gmx-users] GROMACS 2016.2 releaseed Mark Abraham
[gmx-users] mdp file for slow-growth free energy calculation Matteo Busato
[gmx-users] Calculating integrals? Gmx QA
[gmx-users] Freeze a group of atoms in gromacs ARNAB MUKHERJEE
- [gmx-users] Freeze a group of atoms in gromacs Justin Lemkul
[gmx-users] Problem with membrane simulation Neda Rafiee
- [gmx-users] Problem with membrane simulation Mark Abraham
  - [gmx-users] Problem with membrane simulation Neda Rafiee
[gmx-users] Gromacs and Radeon Nano melichercik at leaf.nh.cas.cz
- [gmx-users] Gromacs and Radeon Nano Mark Abraham
- [gmx-users] Gromacs and Radeon Nano Szilárd Páll
  - [gmx-users] Gromacs and Radeon Nano Szilárd Páll
[gmx-users] Using GROMACS to simulate As-Protein interaction Mohamad Koohi-Moghadam
- [gmx-users] Using GROMACS to simulate As-Protein interaction Mark Abraham
  - [gmx-users] Using GROMACS to simulate As-Protein interaction Mohamad Koohi-Moghadam
    - [gmx-users] Using GROMACS to simulate As-Protein interaction Mark Abraham
    - [gmx-users] Using GROMACS to simulate As-Protein interaction Mohamad Koohi-Moghadam
[gmx-users] How to choose z component of two groups Мижээ Батсайхан
- [gmx-users] How to choose z component of two groups Christopher Neale
[gmx-users] Radial distribution function for larger distances Subashini .K
- [gmx-users] Radial distribution function for larger distances Christopher Neale
  - [gmx-users] Radial distribution function for larger distances Subashini .K
    - [gmx-users] Radial distribution function for larger distances Justin Lemkul
- [gmx-users] Radial distribution function for larger distances Christopher Neale
[gmx-users] How should I modify specbond . dat file? Shumaila Khan
[gmx-users] ignoring -h atoms maria khan
- [gmx-users] ignoring -h atoms Erik Marklund
[gmx-users] specbond .dat connection Mehreen Jan
- [gmx-users] specbond .dat connection Justin Lemkul
  - [gmx-users] specbond .dat connection Mark Abraham
[gmx-users] specbond .dat fie : any one plz modify it......tell me how to modify it.. Mehreen Jan
[gmx-users] Hydrogen bond problem Tasneem Kausar
- [gmx-users] Hydrogen bond problem Erik Marklund
  - [gmx-users] Hydrogen bond problem Tasneem Kausar
[gmx-users] problem with gmx solvate Victor Rosas Garcia
- [gmx-users] problem with gmx solvate David van der Spoel
  - [gmx-users] problem with gmx solvate Victor Rosas Garcia
[gmx-users] Problem with obtaining rational Area per lipid ali.khourshaei71 at student.sharif.edu
- [gmx-users] Problem with obtaining rational Area per lipid Christopher Neale
[gmx-users] Distance Restranints Reza Esmaeili
[gmx-users] Hem not found in residue topology database Shumaila Khan
[gmx-users] rtp is not compatable with heme Mehreen Jan
- [gmx-users] rtp is not compatable with heme Justin Lemkul
[gmx-users] HEME issue Mehreen Jan
[gmx-users] ANALYSING PROTEIN LIGAND SIMULATIONS Subashini .K
[gmx-users] Question Regarding GMX Grompp Unknown Atom Type Elise White
- [gmx-users] Question Regarding GMX Grompp Unknown Atom Type Piggot T.
  - [gmx-users] Question Regarding GMX Grompp Unknown Atom Type Piggot T.
[gmx-users] Question regarding monitoring pressure of simulation box ali.khourshaei71 at student.sharif.edu
[gmx-users] Question Regarding GMX Grompp Unknown Atom Type Elise White
- [gmx-users] Question Regarding GMX Grompp Unknown Atom Type Justin Lemkul
[gmx-users] Question regarding equilibration of the system ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding equilibration of the system Mohsen Ramezanpour
[gmx-users] HEME issue Mehreen Jan
[gmx-users] HEME issue liming_52
[gmx-users] g_wham PMF Profiles ZEYNEP ABALI
- [gmx-users] g_wham PMF Profiles gozde ergin
[gmx-users] Plumed with GROMACS 5.1.2 amitbehra at chemeng.iisc.ernet.in
- [gmx-users] Plumed with GROMACS 5.1.2 jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] NVT error Mehreen Jan
- [gmx-users] NVT error Sotirios Dionysios I. Papadatos
[gmx-users] g_wham PMF Profiles ZEYNEP ABALI
[gmx-users] run parameters NIKHIL JOSHI
- [gmx-users] run parameters Erik Marklund
  - [gmx-users] run parameters NIKHIL JOSHI
[gmx-users] Potential energy in Zwanzig relationship gozde ergin
- [gmx-users] Potential energy in Zwanzig relationship Michael Shirts
  - [gmx-users] Potential energy in Zwanzig relationship gozde ergin
    - [gmx-users] Potential energy in Zwanzig relationship Michael Shirts
[gmx-users] No CUDA-capable device is detected Li, Shi
- [gmx-users] No CUDA-capable device is detected Szilárd Páll
[gmx-users] No CUDA-capable device is detected Li, Shi
[gmx-users] No CUDA-capable device is detected Jiri Kraus
[gmx-users] Using CPU with GPU RJ
- [gmx-users] Using CPU with GPU Mark Abraham
[gmx-users] DETECTING HYDROGEN BONDS Subashini .K
- [gmx-users] DETECTING HYDROGEN BONDS Alex
  - [gmx-users] DETECTING HYDROGEN BONDS Subashini .K
    - [gmx-users] DETECTING HYDROGEN BONDS Mark Abraham
    - [gmx-users] DETECTING HYDROGEN BONDS jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] rmsd value from g_cluster 张慧玲
[gmx-users] Is .mdp file are same for each force field? Chintan Bhagat
- [gmx-users] Is .mdp file are same for each force field? jkrieger at mrc-lmb.cam.ac.uk
  - [gmx-users] Is .mdp file are same for each force field? Chintan Bhagat
[gmx-users] Question about pressure of simulation box ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question about pressure of simulation box Justin Lemkul
[gmx-users] Question about Coarse-grain martini option of mdp file ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question about Coarse-grain martini option of mdp file Justin Lemkul
[gmx-users] rmsd value from g_cluster 张慧玲
[gmx-users] Fwd: residue not found in the database. abbas khan
- [gmx-users] Fwd: residue not found in the database. Amir Zeb
[gmx-users] Topology for oxygen Shumaila Khan
[gmx-users] Adding water to specific part of a box Neda Rafiee
- [gmx-users] Adding water to specific part of a box Mohamad Koohi-Moghadam
  - [gmx-users] Adding water to specific part of a box Neda Rafiee
    - [gmx-users] Adding water to specific part of a box Victor Rosas Garcia
    - [gmx-users] Adding water to specific part of a box Neda Rafiee
[gmx-users] Polymer Simulations NIKHIL JOSHI
[gmx-users] How to calculate the angle between the bilayer normal and the P−N vector? Ezequiel Frigini
- [gmx-users] How to calculate the angle between the bilayer normal and the P−N vector? Justin Lemkul
[gmx-users] Creating an FCC lattice surface in GROMACS Rajorshi Paul
- [gmx-users] Creating an FCC lattice surface in GROMACS Alex
[gmx-users] Simulated Tempering in Gromacs 5 Qin Qiao
- [gmx-users] Simulated Tempering in Gromacs 5 Mark Abraham
[gmx-users] Heme lost Shumaila Khan
[gmx-users] gmx wheel amitbehra at chemeng.iisc.ernet.in
- [gmx-users] gmx wheel Justin Lemkul
[gmx-users] Non-zero total charge and Floating Point Arithmetic Мижээ Батсайхан
- [gmx-users] Non-zero total charge and Floating Point Arithmetic Justin Lemkul
[gmx-users] Segmentation Fault Shumaila Khan
[gmx-users] hem issue Mehreen Jan
[gmx-users] Verlet scheme chemocev marker
- [gmx-users] Verlet scheme David van der Spoel
- [gmx-users] Verlet scheme Justin Lemkul
[gmx-users] Regarding topology... Мижээ Батсайхан
[gmx-users] How to calculate the angle between the bilayer normal and the P?N vector? Ezequiel Frigini
- [gmx-users] How to calculate the angle between the bilayer normal and the P?N vector? Justin Lemkul
[gmx-users] Defining vectors in gmx gangle João Henriques
[gmx-users] Trjconv problem invalid argument Poncho Arvayo Zatarain
- [gmx-users] Trjconv problem invalid argument Justin Lemkul
  - [gmx-users] Trjconv problem invalid argument Poncho Arvayo Zatarain
    - [gmx-users] Trjconv problem invalid argument Justin Lemkul
[gmx-users] multiple groups selected error ashutosh srivastava
- [gmx-users] multiple groups selected error Mark Abraham
  - [gmx-users] multiple groups selected error ashutosh srivastava
    - [gmx-users] multiple groups selected error ashutosh srivastava
    - [gmx-users] Problems of compiling GMX 2016.1 on CygWin Qing Lv
[gmx-users] Too many error at first step Chintan Bhagat
- [gmx-users] Too many error at first step Mark Abraham
[gmx-users] How treat PBC with -rerun option when simulate protein in a defined water shell? Juan José Galano Frutos
- [gmx-users] How treat PBC with -rerun option when simulate protein in a defined water shell? Mark Abraham
[gmx-users] position restraint single atom Andrea Spitaleri
- [gmx-users] position restraint single atom Justin Lemkul
  - [gmx-users] Ris: position restraint single atom Andrea Spitaleri
    - [gmx-users] Ris: position restraint single atom Justin Lemkul
[gmx-users] position restraint single atom Andrea Spitaleri
[gmx-users] Error select a group gmx_density Poncho Arvayo Zatarain
- [gmx-users] Error select a group gmx_density Justin Lemkul
  - [gmx-users] Error select a group gmx_density Poncho Arvayo Zatarain
    - [gmx-users] Error select a group gmx_density Justin Lemkul
[gmx-users] How treat PBC with -rerun option when simulate protein in a defined water shell? Juan José Galano Frutos
[gmx-users] Drude-2013 FF, seg fault 11 on repeat minimization of beta-D-glucose monomer Dayhoff, Guy
- [gmx-users] Drude-2013 FF, seg fault 11 on repeat minimization of beta-D-glucose monomer Justin Lemkul
[gmx-users] gmx gangle João Henriques
- [gmx-users] gmx gangle Antonio Baptista
[gmx-users] Regarding topology... Dilip H N
- [gmx-users] Regarding topology... Mark Abraham
[gmx-users] Doubt from topology creation using g_x2top Rakesh Pant
- [gmx-users] Doubt from topology creation using g_x2top rakesh.pant at students.iiserpune.ac.in
  - [gmx-users] Doubt from topology creation using g_x2top Justin Lemkul
[gmx-users] GROMACS 5.1.0 crashes on pbs queue system Neha Gandhi
- [gmx-users] GROMACS 5.1.0 crashes on pbs queue system Mark Abraham
[gmx-users] hbond error Chiara Parravicini
- [gmx-users] hbond error Mark Abraham
  - [gmx-users] hbond error chiara.parravicini at guest.unimi.it
    - [gmx-users] hbond error Mark Abraham
    - [gmx-users] hbond error Justin Lemkul
[gmx-users] gromacs.org_gmx-users Digest, Vol 154, Issue 67 João Henriques
[gmx-users] [make_ndx]_create a group of residues. Rita Paiva Melo
- [gmx-users] [make_ndx]_create a group of residues. Mark Abraham
[gmx-users] offline version of CgenFF tool? Albert
- [gmx-users] offline version of CgenFF tool? Justin Lemkul
[gmx-users] Order Parameter for HII phase Mohsen Ramezanpour
- [gmx-users] Fwd: Order Parameter for HII phase Mohsen Ramezanpour
  - [gmx-users] Order Parameter for HII phase Mohsen Ramezanpour
    - [gmx-users] Order Parameter for HII phase Justin Lemkul
    - [gmx-users] Order Parameter for HII phase Piggot T.
    - [gmx-users] Order Parameter for HII phase Mohsen Ramezanpour
    - [gmx-users] Order Parameter for HII phase Mohsen Ramezanpour
    - [gmx-users] Order Parameter for HII phase Justin Lemkul
    - [gmx-users] Order Parameter for HII phase Antonio Baptista
    - [gmx-users] Order Parameter for HII phase Mohsen Ramezanpour
[gmx-users] Regarding creation of mixture of molecules.. Dilip H N
- [gmx-users] Regarding creation of mixture of molecules.. Dilip H N
  - [gmx-users] Regarding creation of mixture of molecules.. Mark Abraham
    - [gmx-users] Regarding creation of mixture of molecules.. Dilip H N
    - [gmx-users] Regarding creation of mixture of molecules.. Mark Abraham
    - [gmx-users] Regarding creation of mixture of molecules.. Alex
[gmx-users] PROTEIN-LIGAND SIMULATION Subashini .K
- [gmx-users] PROTEIN-LIGAND SIMULATION Justin Lemkul
[gmx-users] g_wham error QU Yuanyuan
- [gmx-users] g_wham error Justin Lemkul
  - [gmx-users] g_wham error Qu Yuan Yuan
[gmx-users] residuetypes.dat file problem Mishelle Oña
- [gmx-users] residuetypes.dat file problem Justin Lemkul
[gmx-users] Question regarding coarse-graining and all-atom structure ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding coarse-graining and all-atom structure Justin Lemkul
  - [gmx-users] Question regarding coarse-graining and all-atom structure Peter Kroon
- [gmx-users] Question regarding coarse-graining and all-atom structure Graham J.A.
[gmx-users] Question regarding the minimization of the system ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding the minimization of the system Justin Lemkul
[gmx-users] E. coli's Inner Membrane Lipid Selection Jonathan Saboury
- [gmx-users] E. coli's Inner Membrane Lipid Selection Thomas Piggot
  - [gmx-users] E. coli's Inner Membrane Lipid Selection Jonathan Saboury
    - [gmx-users] E. coli's Inner Membrane Lipid Selection Thomas Piggot
[gmx-users] Issues combining protein and membrane file? Sanim Rahman
- [gmx-users] Issues combining protein and membrane file? Justin Lemkul
  - [gmx-users] Issues combining protein and membrane file? Sanim Rahman
    - [gmx-users] Issues combining protein and membrane file? Justin Lemkul
    - [gmx-users] Issues combining protein and membrane file? Sanim Rahman
    - [gmx-users] Issues combining protein and membrane file? Justin Lemkul
[gmx-users] Question regarding the minimization of the system ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding the minimization of the system Mark Abraham
[gmx-users] Question regarding the minimization of the system ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding the minimization of the system Mark Abraham
[gmx-users] RB-coefficients of dihedral angles of triethyl phosphate itp Rana Ali
- [gmx-users] RB-coefficients of dihedral angles of triethyl phosphate itp David van der Spoel
  - [gmx-users] RB-coefficients of dihedral angles of triethyl phosphate itp Rana Ali
    - [gmx-users] RB-coefficients of dihedral angles of triethyl phosphate itp Justin Lemkul
    - [gmx-users] RB-coefficients of dihedral angles of triethyl phosphate itp Rana Ali
[gmx-users] Regarding gmx insert molecules.. Dilip H N
[gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS Uliano Guerrini
- [gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS Mark Abraham
  - [gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS Uliano Guerrini
    - [gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS Mark Abraham
    - [gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS Uliano Guerrini
[gmx-users] mixed, double precision Joel Markgren
- [gmx-users] mixed, double precision Peter Stern
  - [gmx-users] mixed, double precision Mark Abraham
[gmx-users] Question regarding the concept of ensembles ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding the concept of ensembles Justin Lemkul
[gmx-users] Gromacs 2016 pull options Gmx QA
- [gmx-users] Gromacs 2016 pull options Justin Lemkul
  - [gmx-users] Gromacs 2016 pull options Gmx QA
    - [gmx-users] Gromacs 2016 pull options Justin Lemkul
    - [gmx-users] Gromacs 2016 pull options Gmx QA
    - [gmx-users] Gromacs 2016 pull options Justin Lemkul
[gmx-users] Question regarding the concept of ensembles ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding the concept of ensembles Justin Lemkul
[gmx-users] Periodic Molecules & Domain Decomposition Error boags a. (ab24g12)
[gmx-users] Question regarding coarse-graining and all-atom structure ali.khourshaei71 at student.sharif.edu
- [gmx-users] Question regarding coarse-graining and all-atom structure Graham J.A.
[gmx-users] gmx energy How to calculate heat capacity Jafor Ali
- [gmx-users] gmx energy How to calculate heat capacity Justin Lemkul
[gmx-users] gmx order has no output Мижээ Батсайхан
- [gmx-users] gmx order has no output Justin Lemkul
[gmx-users] Two ligands - One CPU ? Julian
- [gmx-users] Two ligands - One CPU ? jkrieger at mrc-lmb.cam.ac.uk
  - [gmx-users] Two ligands - One CPU ? Julian
    - [gmx-users] Two ligands - One CPU ? Justin Lemkul
[gmx-users] Doubt from topology creation Rakesh Pant
- [gmx-users] Doubt from topology creation Justin Lemkul
  - [gmx-users] Doubt from topology creation Rakesh Pant
    - [gmx-users] Doubt from topology creation Justin Lemkul
    - [gmx-users] Doubt from topology creation rakesh.pant at students.iiserpune.ac.in
    - [gmx-users] Doubt from topology creation Justin Lemkul
    - [gmx-users] Doubt from topology creation rakesh.pant at students.iiserpune.ac.in
[gmx-users] Significance of abscissa in pmf from 2 reactions coordinates CROUZY Serge 119222
[gmx-users] Protein-ligand using OPLS ff Chetan Puri
[gmx-users] Protein-ligand opls ff Chetan Puri
- [gmx-users] Protein-ligand opls ff Jonathan Saboury
  - [gmx-users] Protein-ligand opls ff Justin Lemkul
    - [gmx-users] Protein-ligand opls ff Chetan Puri
    - [gmx-users] Protein-ligand opls ff Chetan Puri
    - [gmx-users] Protein-ligand opls ff Justin Lemkul
    - [gmx-users] Protein-ligand opls ff Piggot T.
    - [gmx-users] Protein-ligand opls ff Chetan Puri
    - [gmx-users] Protein-ligand opls ff Justin Lemkul
[gmx-users] UMBRELLA SAMPLING Subashini .K
[gmx-users] usage trjconv in membrane simulation Мижээ Батсайхан
- [gmx-users] usage trjconv in membrane simulation Alex
  - [gmx-users] usage trjconv in membrane simulation Catarina A. Carvalheda dos Santos
- [gmx-users] usage trjconv in membrane simulation Marlon Sidore
[gmx-users] calculate distance between atom by given set of coordinate shweta singh
[gmx-users] How to calculate collective coordinate Nikhil Maroli
[gmx-users] UV radiation Sameer Edirisinghe
- [gmx-users] UV radiation David van der Spoel
[gmx-users] GMX 2016 compiling problem (libgromacs.so.2.1.0: undefined reference to `GOMP_parallel') Qing Lv
[gmx-users] gmx trjcat YanhuaOuyang
- [gmx-users] gmx trjcat Tasneem Kausar
[gmx-users] Extending a program RAHUL SURESH
- [gmx-users] Extending a program Amir Zeb
  - [gmx-users] Extending a program RAHUL SURESH
    - [gmx-users] Extending a program Tasneem Kausar
    - [gmx-users] Extending a program RAHUL SURESH
    - [gmx-users] Extending a program Tasneem Kausar
[gmx-users] deformation in simulation RAHUL SURESH
- [gmx-users] deformation in simulation Amir Zeb
  - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
- [gmx-users] deformation in simulation Subashini .K
  - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Tasneem Kausar
    - [gmx-users] deformation in simulation Tasneem Kausar
    - [gmx-users] deformation in simulation RAHUL SURESH
  - [gmx-users] deformation in simulation RAHUL SURESH
    - [gmx-users] deformation in simulation Amir Zeb
    - [gmx-users] deformation in simulation RAHUL SURESH
[gmx-users] UV radiation (David van der Spoel) Groenhof, Gerrit
[gmx-users] RNEMD in Gromacs Neda Rafiee
[gmx-users] Problem with MPIRUN and Ewald Matteo Busato
- [gmx-users] Problem with MPIRUN and Ewald Matteo Busato
[gmx-users] error in minimization step Kingsley Theras Primus Dass .
- [gmx-users] error in minimization step Justin Lemkul
[gmx-users] error in minimization Kingsley Theras Primus Dass .
- [gmx-users] Fwd: error in minimization Kingsley Theras Primus Dass .
[gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
[gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
- [gmx-users] Potential Energy is positive on minimizing the system Justin Lemkul
  - [gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
    - [gmx-users] Potential Energy is positive on minimizing the system Justin Lemkul
    - [gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
    - [gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
    - [gmx-users] Potential Energy is positive on minimizing the system Justin Lemkul
    - [gmx-users] Potential Energy is positive on minimizing the system Anurag Dobhal
[gmx-users] GROMACS servers are down for a few days Mark Abraham
[gmx-users] Webb page down Joel Markgren
- [gmx-users] Webb page down Justin Lemkul
[gmx-users] Protein and Ligand position restraint Amir Zeb
- [gmx-users] Protein and Ligand position restraint Justin Lemkul
  - [gmx-users] Protein and Ligand position restraint Amir Zeb
[gmx-users] Pro-Lig interaction RAHUL SURESH
[gmx-users] force application group wise Rana Ali
[gmx-users] Adding a number of drugs around a polymer faride badalkhani
- [gmx-users] Adding a number of drugs around a polymer Tasneem Kausar
  - [gmx-users] Adding a number of drugs around a polymer Justin Lemkul
[gmx-users] GRO File Merging Sanim Rahman
- [gmx-users] GRO File Merging Mark Abraham
  - [gmx-users] GRO File Merging Sanim Rahman
    - [gmx-users] GRO File Merging Mark Abraham
    - [gmx-users] GRO File Merging Justin Lemkul
    - [gmx-users] GRO File Merging Justin Lemkul
[gmx-users] Drude-2013 FF, hardwall constraint errors with swm4-ndp wate Dayhoff, Guy
- [gmx-users] Drude-2013 FF, hardwall constraint errors with swm4-ndp wate Justin Lemkul
[gmx-users] force application group wise Rana Ali
[gmx-users] topology RAHUL SURESH
- [gmx-users] topology Justin Lemkul
[gmx-users] topology RAHUL SURESH
- [gmx-users] topology Justin Lemkul
[gmx-users] topology RAHUL SURESH
- [gmx-users] topology Justin Lemkul
  - [gmx-users] topology RAHUL SURESH
    - [gmx-users] topology Justin Lemkul
[gmx-users] TOPOLBUILD 1.3 Subashini .K
[gmx-users] Velocity as a function of distance Z Kamps, M.
- [gmx-users] Velocity as a function of distance Z Mark Abraham
[gmx-users] topology Dayhoff, Guy
- [gmx-users] topology Téletchéa Stéphane
[gmx-users] How to define the sublayers in the simulation and update the list of molecules at t timeinterval Rana Ali
- [gmx-users] How to define the sublayers in the simulation and update the list of molecules at t timeinterval Mark Abraham
  - [gmx-users] How to define the sublayers in the simulation and update the list of molecules at t timeinterval Alex
[gmx-users] TOPOLBUILD 1.3 Ray, Bruce D
[gmx-users] rdf calculation with respect to center of mass Maryam Khalkhali
[gmx-users] PLUMED Meeting 2017 Giovanni Bussi
- [gmx-users] PLUMED Meeting 2017 Sudip Das
  - [gmx-users] PLUMED Meeting 2017 Sudip Das
[gmx-users] Dihedral PCA documentation Anna Lappala
- [gmx-users] Dihedral PCA documentation Alex
  - [gmx-users] Dihedral PCA documentation Anna Vernon
    - [gmx-users] Dihedral PCA documentation Justin Lemkul
    - [gmx-users] Dihedral PCA documentation Anna Vernon
    - [gmx-users] Dihedral PCA documentation Justin Lemkul
    - [gmx-users] Dihedral PCA documentation Anna Vernon
    - [gmx-users] Dihedral PCA documentation Mark Abraham
[gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option. Andrew Bostick
- [gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option. Erik Marklund
  - [gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option. Mark Abraham
[gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option. Andrew Bostick
[gmx-users] ERROR IN BASH SCRIPTING Subashini .K
- [gmx-users] ERROR IN BASH SCRIPTING Mark Abraham
  - [gmx-users] ERROR IN BASH SCRIPTING Subashini .K
    - [gmx-users] ERROR IN BASH SCRIPTING Mark Abraham
    - [gmx-users] ERROR IN BASH SCRIPTING Subashini .K
[gmx-users] Simulation crashes: issue with [pair] potential poma at ifpan.edu.pl
- [gmx-users] Simulation crashes: issue with [pair] potential Mark Abraham
[gmx-users] Too many error at first step Chintan Bhagat
- [gmx-users] Too many error at first step Justin Lemkul
[gmx-users] Velocity as a function of distance Z Kamps, M.
- [gmx-users] Velocity as a function of distance Z Mark Abraham
[gmx-users] Question regarding coarse-graining martini ali.khourshaei71 at student.sharif.edu
[gmx-users] gmx cluster without allowing Z-rotation? Christopher Neale

Last message date: Tue Feb 28 22:26:51 CET 2017
Archived on: Tue Feb 28 22:26:52 CET 2017

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