December 2016 Archives by thread

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Starting: Thu Dec 1 04:22:52 CET 2016
Ending: Fri Dec 30 17:58:21 CET 2016
Messages: 439

• [gmx-users] Lennard-Jones Wall ( help please ! )   Lamm Gro
• [gmx-users] Gomacs and multiple GPU   Nikhil Maroli
• [gmx-users] Desired spacing in umbrella sampling   faride badalkhani
• [gmx-users] Problem in PMF simulation   Billy Williams-Noonan
  • [gmx-users] Problem in PMF simulation   Justin Lemkul
    • [gmx-users] Problem in PMF simulation   Billy Williams-Noonan
• [gmx-users] bash: /home/linux/installation/gromacs/bin/gmx_mpi: cannot execute binary file   Andrew Bostick
  • [gmx-users] bash: /home/linux/installation/gromacs/bin/gmx_mpi: cannot execute binary file   Mark Abraham
• [gmx-users] Gomacs and multiple GPU   Mark Abraham
  • [gmx-users] Gomacs and multiple GPU   Alexis Michon
    • [gmx-users] Gomacs and multiple GPU   Szilárd Páll
      • [gmx-users] Gomacs and multiple GPU   Alexis Michon
      • [gmx-users] Gomacs and multiple GPU   Szilárd Páll
      • [gmx-users] Gomacs and multiple GPU   Alexis Michon
      • [gmx-users] Gomacs and multiple GPU   Szilárd Páll
      • [gmx-users] Gomacs and multiple GPU   Alexis Michon
• [gmx-users] gmx insert-molecules not adding the required number of molecules   Mark Abraham
• [gmx-users] PME   Mark Abraham
• [gmx-users] (no subject)   Gregory Man Kai Poon
  • [gmx-users] (no subject)   Justin Lemkul
    • [gmx-users] hbond   Gregory Poon
      • [gmx-users] hbond   Justin Lemkul
• [gmx-users] Order Parameter with an all-atom force field   Justin Lemkul
• [gmx-users] Neighbor searching artifacts in permittivity when using shift   Szilárd Páll
• [gmx-users] Lattice distance for HII phase   Mohsen Ramezanpour
  • [gmx-users] Lattice distance for HII phase   Mohsen Ramezanpour
• [gmx-users] system blowing up   abhisek Mondal
  • [gmx-users] system blowing up   Justin Lemkul
• [gmx-users] order parameters for Inverted hexagonal phase   Mohsen Ramezanpour
• [gmx-users] Computer processor and graphics card choice   Guillem Prats Ejarque
  • [gmx-users] Computer processor and graphics card choice   Andrew Guy
    • [gmx-users] Computer processor and graphics card choice   Peter Kroon
  • [gmx-users] Computer processor and graphics card choice   T.M.D. Graen
    • [gmx-users] Computer processor and graphics card choice   Szilárd Páll
  • [gmx-users] Computer processor and graphics card choice   Szilárd Páll
• [gmx-users] COM group of Membrane and Protein simulation   Mijiddorj Batsaikhan
  • [gmx-users] COM group of Membrane and Protein simulation   Justin Lemkul
• [gmx-users] parallel processing   abhisek Mondal
  • [gmx-users] parallel processing   jkrieger at mrc-lmb.cam.ac.uk
    • [gmx-users] parallel processing   abhisek Mondal
      • [gmx-users] parallel processing   Mark Abraham
      • [gmx-users] parallel processing   abhisek Mondal
      • [gmx-users] parallel processing   Mark Abraham
• [gmx-users] Using GROMACS with (AMD) OpenCL   Gregory Man Kai Poon
  • [gmx-users] Using GROMACS with (AMD) OpenCL   melichercik at leaf.nh.cas.cz
    • [gmx-users] Using GROMACS with (AMD) OpenCL   Szilárd Páll
      • [gmx-users] Using GROMACS with (AMD) OpenCL   Gregory Man Kai Poon
      • [gmx-users] Using GROMACS with (AMD) OpenCL   Szilárd Páll
      • [gmx-users] Using GROMACS with (AMD) OpenCL   Gregory Man Kai Poon
      • [gmx-users] Using GROMACS with (AMD) OpenCL   Szilárd Páll
• [gmx-users] About negative values deuterium order parameters   Poncho Arvayo Zatarain
  • [gmx-users] About negative values deuterium order parameters   Justin Lemkul
• [gmx-users] COM group of Membrane and Protein simulation   Mijiddorj Batsaikhan
• [gmx-users] gmx distance -- gmx: double free or corruption   Christopher Neale
• [gmx-users] Removal of Waters in Hydrophobic Core   Christopher Neale
• [gmx-users] PMF decompostion   Salman Zarrini
  • [gmx-users] PMF decompostion   Christopher Neale
    • [gmx-users] PMF decompostion   David van der Spoel
      • [gmx-users] PMF decompostion   Salman Zarrini
      • [gmx-users] PMF decompostion   Justin Lemkul
      • [gmx-users] PMF decompostion   Salman Zarrini
      • [gmx-users] PMF decompostion   Justin Lemkul
• [gmx-users] Character issues   Kelsy Yuan
  • [gmx-users] Character issues   Mark Abraham
    • [gmx-users] Character issues   Kelsy Yuan
      • [gmx-users] Character issues   Mark Abraham
      • [gmx-users] Character issues   Kelsy Yuan
      • [gmx-users] Character issues   Mark Abraham
      • [gmx-users] Character issues   Justin Lemkul
      • [gmx-users] Character issues   Kelsy Yuan
      • [gmx-users] Character issues   Justin Lemkul
• [gmx-users] trjconv sampling according to a list of arbitrary times   Irem Altan
  • [gmx-users] trjconv sampling according to a list of arbitrary times   Mark Abraham
  • [gmx-users] trjconv sampling according to a list of arbitrary times   Christopher Neale
• [gmx-users] Computer processor and graphics card choice   Guillem Prats Ejarque
• [gmx-users] COM group of Membrane and Protein simulation   Mijiddorj Batsaikhan
  • [gmx-users] COM group of Membrane and Protein simulation   Justin Lemkul
• [gmx-users] adding lcudart C++ flag + -cudart=shared NVCC flag to compile option   Rizki Bayu
  • [gmx-users] adding lcudart C++ flag + -cudart=shared NVCC flag to compile option   Mark Abraham
• [gmx-users] Ligand-protein free binding energy is become positive   masoud aliyar
• [gmx-users] Cosine bending potential   ARNAB MUKHERJEE
  • [gmx-users] Cosine bending potential   Mark Abraham
• [gmx-users] free energy settings   Qasim Pars
  • [gmx-users] free energy settings   Justin Lemkul
• [gmx-users] COM group of Membrane and Protein simulation   Mijiddorj Batsaikhan
• [gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi   Jan Domanski
  • [gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi   Mark Abraham
    • [gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi   Victor Rosas Garcia
      • [gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi   Mark Abraham
      • [gmx-users] Vagrant 2-node slurm cluster with gromacs, mpi   Victor Rosas Garcia
• [gmx-users] g-C3N4 GROMOS parameters   Morten
• [gmx-users] Adding external field to selected atoms   Bappa Ghosh
  • [gmx-users] Adding external field to selected atoms   Mark Abraham
• [gmx-users] Suitable techniques of self-assembly studies   Mijiddorj Batsaikhan
• [gmx-users] desmond setup   maria khan
  • [gmx-users] desmond setup   Sotirios Dionysios I. Papadatos
• [gmx-users] correction of pmf profile due to entropic decrease   Alex
  • [gmx-users] correction of pmf profile due to entropic decrease   Alex
    • [gmx-users] correction of pmf profile due to entropic decrease   Erik Marklund
• [gmx-users] pdb2gmx vsites error reading atom name   Vasiliu Tudor
  • [gmx-users] pdb2gmx vsites error reading atom name   Sotirios Dionysios I. Papadatos
• [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Aishwary Shivgan
  • [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Justin Lemkul
    • [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Aishwary Shivgan
      • [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Justin Lemkul
      • [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Aishwary Shivgan
      • [gmx-users] Defining +/- in the RTP file for a molecule with 3 different molecules   Justin Lemkul
• [gmx-users] multi node processing issue   abhisek Mondal
  • [gmx-users] multi node processing issue   Mark Abraham
• [gmx-users] protein ligand complex MD simulation   ashan dayananda
  • [gmx-users] protein ligand complex MD simulation   Sajeewa Pemasinghe
• [gmx-users] forcefield for phosphorylated residues   Seera Suryanarayana
  • [gmx-users] forcefield for phosphorylated residues   Justin Lemkul
• [gmx-users] Building using FFTW3 for FFT and MKL for BLAS/LAPACK   Will Furnass
  • [gmx-users] Building using FFTW3 for FFT and MKL for BLAS/LAPACK   Mark Abraham
• [gmx-users] Force field for phosphorylated residues   Seera Suryanarayana
  • [gmx-users] Force field for phosphorylated residues   Mark Abraham
• [gmx-users] Regarding error in hydrogen bond lifetime   Apramita Chand
• [gmx-users] Material science   RAHUL SURESH
  • [gmx-users] Material science   Mark Abraham
• [gmx-users] xtc to dcd conversion   Amir Zeb
  • [gmx-users] xtc to dcd conversion   Justin Lemkul
• [gmx-users] How to use Höltje's cholesterol parameters ?   Sim gmx
  • [gmx-users] How to use Höltje's cholesterol parameters ?   Sim gmx
    • [gmx-users] How to use Höltje's cholesterol parameters ?   Sim gmx
      • [gmx-users] How to use Höltje's cholesterol parameters ?   Thomas Piggot
      • [gmx-users] How to use Höltje's cholesterol parameters ?   Sim gmx
• [gmx-users] material science   RAHUL SURESH
  • [gmx-users] material science   Mark Abraham
• [gmx-users] Query regarding hydrogen bond lifetime and energy   Apramita Chand
• [gmx-users] Calculating osmotic coefficient through virial/kinetic terms: what is the handy way?   Vries, de, H.W.
• [gmx-users] About surface in GROMACS   Faust SHI
  • [gmx-users] About surface in GROMACS   Mark Abraham
• [gmx-users] static compilation - various problems...   Krzysztof Piszczek
  • [gmx-users] static compilation - various problems...   Mark Abraham
• [gmx-users] using implicit water for atomistic simulation of lipid bilayer   Mohsen Ramezanpour
  • [gmx-users] using implicit water for atomistic simulation of lipid bilayer   Justin Lemkul
    • [gmx-users] using implicit water for atomistic simulation of lipid bilayer   Mohsen Ramezanpour
• [gmx-users] Crosslinking of polymers   Mishelle Oña
  • [gmx-users] Crosslinking of polymers   Justin Lemkul
• [gmx-users] Analaysis   ‪Mohammad Roostaie‬ ‪
  • [gmx-users] Analaysis   Justin Lemkul
    • [gmx-users] Analaysis   Amir Zeb
      • [gmx-users] Analaysis   ‪Mohammad Roostaie‬ ‪
    • [gmx-users] Analaysis   ‪Mohammad Roostaie‬ ‪
• [gmx-users] Hbonds analysis   Khadija Amine
  • [gmx-users] Hbonds analysis   Amir Zeb
  • [gmx-users] Hbonds analysis   Dario Akaberi
  • [gmx-users] Hbonds analysis   Khadija Amine
• [gmx-users] Subject: Molecule is breaking during energy minimization   Emine Deniz Tekin
  • [gmx-users] Subject: Molecule is breaking during energy minimization   Mark Abraham
    • [gmx-users] Subject: Molecule is breaking during energy minimization   Emine Deniz Tekin
• [gmx-users] Force filed for phosphorylated residues   Seera Suryanarayana
  • [gmx-users] Force filed for phosphorylated residues   Amir Zeb
    • [gmx-users] Force filed for phosphorylated residues   Amir Zeb
    • [gmx-users] Force filed for phosphorylated residues   Justin Lemkul
      • [gmx-users] Force filed for phosphorylated residues   Amir Zeb
  • [gmx-users] Force filed for phosphorylated residues   Mark Abraham
    • [gmx-users] Force filed for phosphorylated residues   Amir Zeb
      • [gmx-users] Force filed for phosphorylated residues   Peter Stern
• [gmx-users] Free Energy Landscape- PCA   Romero, Raquel
  • [gmx-users] Free Energy Landscape- PCA   Romero, Raquel
  • [gmx-users] Free Energy Landscape- PCA   Justin Lemkul
    • [gmx-users] Free Energy Landscape- PCA   Romero, Raquel
      • [gmx-users] Free Energy Landscape- PCA   Justin Lemkul
      • [gmx-users] Free Energy Landscape- PCA   Romero, Raquel
      • [gmx-users] Free Energy Landscape- PCA   Mark Abraham
• [gmx-users] replica exchange: checkpoint file not getting generated   shivangi nangia
  • [gmx-users] replica exchange: checkpoint file not getting generated   Mark Abraham
• [gmx-users] Gromacs Learning   Sheikh Imamul Hossain
  • [gmx-users] Gromacs Learning   Marlon Sidore
• [gmx-users] calculating the RDF of the molecular center of mass with GROMACS 2016-beta2   yamashita.ryoto.82s at st.kyoto-u.ac.jp
• [gmx-users] problem   Adel ASCHI
• [gmx-users] 2016.1 : BUG 'gmx wham' option '-nt' not recognized   Walter K Vogel
  • [gmx-users] 2016.1 : BUG 'gmx wham' option '-nt' not recognized   Mark Abraham
    • [gmx-users] 2016.1 : BUG 'gmx wham' option '-nt' not recognized   Walter K Vogel
• [gmx-users] How to solve the OXT atom (terminal O atom) issue?   Seera Suryanarayana
  • [gmx-users] How to solve the OXT atom (terminal O atom) issue?   Justin Lemkul
• [gmx-users] Inconsistent shifts   Mijiddorj Batsaikhan
  • [gmx-users] Inconsistent shifts   Justin Lemkul
• [gmx-users] Problem in mdrun   tasneem kausar
  • [gmx-users] Problem in mdrun   Mark Abraham
• [gmx-users] GROMACS 5.1.2 performance   Neha Gandhi
  • [gmx-users] GROMACS 5.1.2 performance   Justin Lemkul
    • [gmx-users] GROMACS 5.1.2 performance   Mark Abraham
• [gmx-users] Hi, how can I get the number density value to the centre of mass? Thanks!   曲广淼
• [gmx-users] Inconsistent shifts   Mijiddorj Batsaikhan
  • [gmx-users] Inconsistent shifts   Justin Lemkul
• [gmx-users] normalized overlap   Lovas, Sandor
• [gmx-users] To trjcat or not to trjcat   Alex
  • [gmx-users] To trjcat or not to trjcat   Justin Lemkul
    • [gmx-users] To trjcat or not to trjcat   Alex
      • [gmx-users] To trjcat or not to trjcat   Mark Abraham
      • [gmx-users] To trjcat or not to trjcat   Alex
• [gmx-users] energy_group exclusions   #SUKRITI GUPTA#
• [gmx-users] Energy group exclusions   #SUKRITI GUPTA#
  • [gmx-users] Energy group exclusions   Mark Abraham
    • [gmx-users] Energy group exclusions   #SUKRITI GUPTA#
• [gmx-users] How to solve the terminal oxygen atom issue (OXT atom) ?   Seera Suryanarayana
  • [gmx-users] How to solve the terminal oxygen atom issue (OXT atom) ?   Justin Lemkul
• [gmx-users] CG Lincs errors   Nash, Anthony
  • [gmx-users] CG Lincs errors   Mark Abraham
    • [gmx-users] CG Lincs errors   Alex
      • [gmx-users] CG Lincs errors   Nash, Anthony
      • [gmx-users] CG Lincs errors   Peter Kroon
      • [gmx-users] CG Lincs errors   Nash, Anthony
• [gmx-users] constraint   NIKHIL JOSHI
  • [gmx-users] constraint   Mark Abraham
    • [gmx-users] constraint   NIKHIL JOSHI
• [gmx-users] Desolvation or hydration free energy of an ION   Alex
  • [gmx-users] Desolvation or hydration free energy of an ION   Justin Lemkul
    • [gmx-users] Desolvation or hydration free energy of an ION   Alex
      • [gmx-users] Desolvation or hydration free energy of an ION   Justin Lemkul
• [gmx-users] trajectory analysis   maria khan
  • [gmx-users] trajectory analysis   Justin Lemkul
• [gmx-users] Inconsistent shifts   Mijiddorj Batsaikhan
• [gmx-users] Protein-Ligand Complex MD simulation   Adarsh V. K.
• [gmx-users] Protein-Ligand Complex MD simulation   Adarsh V. K.
• [gmx-users] How to solve OXT atom (termial oxygen atom) issue?   Seera Suryanarayana
  • [gmx-users] How to solve OXT atom (termial oxygen atom) issue?   Justin Lemkul
• [gmx-users] Charged systems   #SUKRITI GUPTA#
  • [gmx-users] Charged systems   #SUKRITI GUPTA#
    • [gmx-users] Charged systems   Philip Loche
• [gmx-users] Charge Correction using HF method   tasneem kausar
  • [gmx-users] Charge Correction using HF method   Justin Lemkul
• [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   #SUKRITI GUPTA#
  • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   #SUKRITI GUPTA#
    • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   Mark Abraham
      • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   #SUKRITI GUPTA#
      • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   Mark Abraham
      • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   #SUKRITI GUPTA#
      • [gmx-users] Problem in running energy minimization in Gromacs 5.1.2 version   Mark Abraham
• [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
  • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
    • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
      • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
      • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Piggot T.
      • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
      • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
      • [gmx-users] Manual refinement of ATB topologies ?   Sim gmx
      • [gmx-users] Manual refinement of ATB topologies ?   Justin Lemkul
• [gmx-users] normalized   Lovas, Sandor
  • [gmx-users] normalized   Mark Abraham
• [gmx-users] How to resolve OXT atom issue?   Seera Suryanarayana
  • [gmx-users] How to resolve OXT atom issue?   RAHUL SURESH
  • [gmx-users] How to resolve OXT atom issue?   Justin Lemkul
• [gmx-users] Re : gromacs.org_gmx-users Digest, Vol 152, Issue 55   Adel ASCHI
• [gmx-users] ultrasonic   aghaei.arsalan
• [gmx-users] ultrasonic   aghaei.arsalan
  • [gmx-users] ultrasonic   Mark Abraham
• [gmx-users] Exactly same rdfs for different residues of protein with water   Apramita Chand
  • [gmx-users] Exactly same rdfs for different residues of protein with water   Mark Abraham
• [gmx-users] Energy conservation in NVE   Michael Gilson
  • [gmx-users] Energy conservation in NVE   Mark Abraham
• [gmx-users] exactly same rdfs for different residues   Apramita Chand
  • [gmx-users] exactly same rdfs for different residues   Mark Abraham
• [gmx-users] Found solution to the problem of same rdfs for different residues   Apramita Chand
• [gmx-users] autocorrelation function   faride badalkhani
• [gmx-users] Extending simulation, quick question   Dario Akaberi
  • [gmx-users] Extending simulation, quick question   Justin Lemkul
• [gmx-users] (no subject)   SA
• [gmx-users] Force field transformation from Gromacs to Charmm format   Dawid das
  • [gmx-users] Force field transformation from Gromacs to Charmm format   Justin Lemkul
    • [gmx-users] Force field transformation from Gromacs to Charmm format   Dawid das
    • [gmx-users] Force field transformation from Gromacs to Charmm format   liming_52
• [gmx-users] gromacs.org_gmx-users Digest, Vol 152, Issue 61   Michael K. Gilson
• [gmx-users] Charge on drug   tasneem kausar
  • [gmx-users] Charge on drug   Mark Abraham
    • [gmx-users] Charge on drug   tasneem kausar
      • [gmx-users] Charge on drug   tasneem kausar
      • [gmx-users] Charge on drug   Justin Lemkul
      • [gmx-users] Charge on drug   tasneem kausar
      • [gmx-users] Charge on drug   Justin Lemkul
      • [gmx-users] Charge on drug   tasneem kausar
• [gmx-users] PMF changing drastically with the number of bins   Sajeewa Pemasinghe
  • [gmx-users] PMF changing drastically with the number of bins   Sajeewa Pemasinghe
• [gmx-users] where do Zinc parameters come from ?   CROUZY Serge 119222
  • [gmx-users] where do Zinc parameters come from ?   Justin Lemkul
• [gmx-users] Unstable Alpha Helix   amitbehra at chemeng.iisc.ernet.in
  • [gmx-users] Unstable Alpha Helix   Justin Lemkul
• [gmx-users] all electron force field   Maryam Kowsar
• [gmx-users] normalized overlap   Lovas, Sandor
  • [gmx-users] normalized overlap   Mark Abraham
• [gmx-users] optimum number of OpenMP threads for simulation   Irem Altan
  • [gmx-users] optimum number of OpenMP threads for simulation   Mark Abraham
    • [gmx-users] optimum number of OpenMP threads for simulation   Irem Altan
      • [gmx-users] optimum number of OpenMP threads for simulation   Mark Abraham
      • [gmx-users] optimum number of OpenMP threads for simulation   Irem Altan
      • [gmx-users] optimum number of OpenMP threads for simulation   Mark Abraham
      • [gmx-users] optimum number of OpenMP threads for simulation   Irem Altan
      • [gmx-users] optimum number of OpenMP threads for simulation   Mark Abraham
• [gmx-users] Gradual deformation of position-restrained structure   Alex
  • [gmx-users] Gradual deformation of position-restrained structure   Mark Abraham
    • [gmx-users] Gradual deformation of position-restrained structure   Alex
      • [gmx-users] Gradual deformation of position-restrained structure   Mark Abraham
      • [gmx-users] Gradual deformation of position-restrained structure   Alex
      • [gmx-users] Gradual deformation of position-restrained structure   Alex
• [gmx-users] Protein-Ligand Complex MD simulation   Adarsh V. K.
• [gmx-users] Protein-Peptide Simulation help   Syed Azeem
  • [gmx-users] Protein-Peptide Simulation help   Justin Lemkul
• [gmx-users] how to compute charged carried by a single residue   Amir Zeb
  • [gmx-users] how to compute charged carried by a single residue   Mark Abraham
    • [gmx-users] how to compute charged carried by a single residue   Amir Zeb
      • [gmx-users] how to compute charged carried by a single residue   Mark Abraham
      • [gmx-users] how to compute charged carried by a single residue   Amir Zeb
• [gmx-users] martini lipids self-assembly pressure coupling   Gmx QA
  • [gmx-users] martini lipids self-assembly pressure coupling   Justin Lemkul
• [gmx-users] Should I restrain omega dihedrals or just phi/psi?   Daniel Bauer
  • [gmx-users] Should I restrain omega dihedrals or just phi/psi?   Justin Lemkul
• [gmx-users] Re. normalized overlap   Lovas, Sandor
  • [gmx-users] Re. normalized overlap   Mark Abraham
• [gmx-users] DMSO   Hoda Alibiglou
  • [gmx-users] DMSO   tasneem kausar
  • [gmx-users] DMSO   Mark Abraham
• [gmx-users] Backmapping from MARTINI to AA in GROMACS 5.1.1: initram.sh error   SRINIVAS MUSHNOORI
• [gmx-users] COM Pull energy in v. 2016.1   Alex
  • [gmx-users] COM Pull energy in v. 2016.1   Alex
• [gmx-users] Unanswered Query regarding hydrogen bond lifetime and energy   Apramita Chand
• [gmx-users] TIP3 water problem   nikolaev at spbau.ru
  • [gmx-users] TIP3 water problem   Justin Lemkul
    • [gmx-users] TIP3 water problem   nikolaev at spbau.ru
      • [gmx-users] TIP3 water problem   Justin Lemkul
      • [gmx-users] TIP3 water problem   nikolaev at spbau.ru
      • [gmx-users] TIP3 water problem   Mark Abraham
      • [gmx-users] TIP3 water problem   nikolaev at spbau.ru
      • [gmx-users] TIP3 water problem   Justin Lemkul
• [gmx-users] Compress the box   Faust SHI
• [gmx-users] Energy minimization steps   Syed Azeem
  • [gmx-users] Energy minimization steps   Alex
    • [gmx-users] Energy minimization steps   Mark Abraham
• [gmx-users] Protein-Peptide Simulation help   Syed Azeem
• [gmx-users] Energy minimization steps   Syed Azeem
• [gmx-users] Unstable Alpha Helix   amitbehra at chemeng.iisc.ernet.in
  • [gmx-users] Unstable Alpha Helix   Mark Abraham
• [gmx-users] Dihedral calculations in topology   Kamps, M.
  • [gmx-users] Dihedral calculations in topology   Mark Abraham
• [gmx-users] Dihedral calculations in topology   Kamps, M.
  • [gmx-users] Dihedral calculations in topology   Mark Abraham
    • [gmx-users] Dihedral calculations in topology   Justin Lemkul
• [gmx-users] Energy conservation in NVE simulations   Michael K. Gilson
  • [gmx-users] Energy conservation in NVE simulations   Justin Lemkul
• [gmx-users] Dihedral calculations in topology   Kamps, M.
  • [gmx-users] Dihedral calculations in topology   Justin Lemkul
• [gmx-users] Force field for ion-carbon interaction   Maryam Kowsar
  • [gmx-users] Force field for ion-carbon interaction   Alex
    • [gmx-users] Force field for ion-carbon interaction   Maryam Kowsar
      • [gmx-users] Force field for ion-carbon interaction   Alex
      • [gmx-users] Force field for ion-carbon interaction   Maryam Kowsar
• [gmx-users] Strange pressure coupling behaviour, rapid expanding box   Kamps, M.
  • [gmx-users] Strange pressure coupling behaviour, rapid expanding box   Justin Lemkul
• [gmx-users] adding new parameters to force field   Mohsen Ramezanpour
  • [gmx-users] adding new parameters to force field   Mark Abraham
    • [gmx-users] adding new parameters to force field   Mohsen Ramezanpour
• [gmx-users] Protein-Ligand Complex MD simulation: Restrain protein alone or Restrain both protein and ligand during simulation?   Adarsh V. K.
  • [gmx-users] Protein-Ligand Complex MD simulation: Restrain protein alone or Restrain both protein and ligand during simulation?   Amir Zeb
• [gmx-users] Homology model refinement   Amir Zeb
  • [gmx-users] Homology model refinement   Mark Abraham
    • [gmx-users] Homology model refinement   Amir Zeb
      • [gmx-users] Homology model refinement   Mark Abraham
      • [gmx-users] Homology model refinement   Amir Zeb
• [gmx-users] Homology model refinement   Mijiddorj Batsaikhan
  • [gmx-users] Homology model refinement   Amir Zeb
• [gmx-users] Neutralization of the non solvated system   Anurag Dobhal
  • [gmx-users] Neutralization of the non solvated system   Justin Lemkul
    • [gmx-users] Neutralization of the non solvated system   Anurag Dobhal
• [gmx-users] Force Fields Selection   Syed Azeem
  • [gmx-users] Force Fields Selection   Smith, Micholas D.
• [gmx-users] Protonation state of phospho-tyrosine in neutral PH   Zheng Ruan
  • [gmx-users] Protonation state of phospho-tyrosine in neutral PH   Justin Lemkul
    • [gmx-users] Protonation state of phospho-tyrosine in neutral PH   Zheng Ruan
• [gmx-users] Block calculation   Kelsy Yuan
  • [gmx-users] Block calculation   Justin Lemkul
• [gmx-users] Clustsize error   Amir Zeb
• [gmx-users] gromacs.org_gmx-users Digest, Vol 152, Issue 93   Syed Azeem
• [gmx-users] Implicit and Explicit solvation   Syed Azeem
• [gmx-users] Meaning of delta g in hydrogen bond lifetime column   Apramita Chand
  • [gmx-users] Meaning of delta g in hydrogen bond lifetime column   Justin Lemkul
• [gmx-users] Why is Continuous hydrogen bond lifetime so low?   Apramita Chand
• [gmx-users] Strange pressure coupling behaviour, rapid expanding box   Kamps, M.
  • [gmx-users] Strange pressure coupling behaviour, rapid expanding box   Justin Lemkul
• [gmx-users] Implicit and Explicit solvation   Timofey Tyugashev
• [gmx-users] order parameters is more than one   Karim Mahnam
  • [gmx-users] order parameters is more than one   Karim Mahnam
    • [gmx-users] Fwd: order parameters is more than one   Karim Mahnam
• [gmx-users] Implicit and Explicit solvation   Syed Azeem
  • [gmx-users] Implicit and Explicit solvation   Justin Lemkul
• [gmx-users] Parameter suggestion for locating an Iron atom between two carbon ring and preventing system blow up   Sajjad Kavyani
• [gmx-users] Parameter suggestion for locating an Iron atom between two carbon ring and preventing system blow up   Sajjad Kavyani
  • [gmx-users] Parameter suggestion for locating an Iron atom between two carbon ring and preventing system blow up   Mark Abraham
    • [gmx-users] Parameter suggestion for locating an Iron atom between two carbon ring and preventing system blow up   Sajjad Kavyani
• [gmx-users] Merry Christmas from MemProtMD   Tom Newport
  • [gmx-users] Merry Christmas from MemProtMD   Mark Abraham
  • [gmx-users] Merry Christmas from MemProtMD   Stéphane Téletchéa
• [gmx-users] CG-MD to study the conformational changes of proteins...   Nikhil Maroli
• [gmx-users] CG-MD to study the conformational changes of proteins...   Quyen V. Vu
  • [gmx-users] CG-MD to study the conformational changes of proteins...   Dariush Mohammadyani
    • [gmx-users] CG-MD to study the conformational changes of proteins...   Shanmuga Priya V.G
• [gmx-users] Implicit and Explicit solvation   Syed Azeem
• [gmx-users] Specs for GPU box   Alex
• [gmx-users] Continuing a FEP alchemical   Alex
  • [gmx-users] Continuing a FEP alchemical   Hannes Loeffler
    • [gmx-users] Continuing a FEP alchemical   Alex
      • [gmx-users] Continuing a FEP alchemical   Hannes Loeffler
• [gmx-users] ffnonbonded.itp   chemocev marker
• [gmx-users] Reading tpx file (md_0_1.tpr) version 110 with version 100 program   Zhang, Cheng
  • [gmx-users] Reading tpx file (md_0_1.tpr) version 110 with version 100 program   Alex
• [gmx-users] New inGromacs   Fredrick Oghenebrorie
• [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Zhang, Cheng
  • [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Alex
  • [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Zhang, Cheng
    • [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Justin Lemkul
    • [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Zhang, Cheng
      • [gmx-users] How to extend my incompleted simulation? (not extend a completed one)   Alex
• [gmx-users] Deletion of Lipids During InflateGro?   Sanim Rahman
  • [gmx-users] Deletion of Lipids During InflateGro?   Justin Lemkul
• [gmx-users] Need to search parameters.   Sailesh Bataju
  • [gmx-users] Need to search parameters.   Mark Abraham
• [gmx-users] Basic questions   qasimpars at gmail.com
  • [gmx-users] Basic questions   Justin Lemkul

Last message date: Fri Dec 30 17:58:21 CET 2016
Archived on: Fri Dec 30 17:58:22 CET 2016

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