December 2009 Archives by thread

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Starting: Tue Dec 1 07:54:56 CET 2009
Ending: Thu Dec 31 23:07:55 CET 2009
Messages: 679

[gmx-users] topolbuild Neha Bharat Gajaria
- [gmx-users] topolbuild Bruce D. Ray
[gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 hema dhevi
- [gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 memory allocation hema dhevi
- [gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 (memory allocation error) Justin A. Lemkul
  - Re: [gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 (memory allocationerror) hema dhevi
[gmx-users] trjconv -pbc cluster with rhombic dodecahedron box Tsjerk Wassenaar
[gmx-users] Tabulated potentials make newbies crazy Berk Hess
[gmx-users] Re: amber force field in Gromacs servaas
- [gmx-users] Re: amber force field in Gromacs Erik Marklund
[gmx-users] Re: amber force field in Gromacs servaas
[gmx-users] Segmentation fault when using fourier dihedrals in v. 4.0.5. Henri Ervasti
- [gmx-users] Segmentation fault when using fourier dihedrals in v. 4.0.5. Teemu Murtola
[gmx-users] Segmentation fault when using fourier dihedrals in v. 4.0.5. Henri Ervasti
[gmx-users] tabulate interaction functions-improper dihedral 王龙
[gmx-users] trjconv -pbc cluster with rhombic dodecahedron box Daniel Parton
- [gmx-users] trjconv -pbc cluster with rhombic dodecahedron box Tsjerk Wassenaar
[gmx-users] Re: amber force field in Gromacs Alan
- [gmx-users] Re: amber force field in Gromacs Alan
  - [gmx-users] Re: amber force field in Gromacs Alan
[gmx-users] Segmentation fault while using openmpi pim schravendijk
[gmx-users] any chance to write avoid writing out trr but only xtc file ? Jörn-Benjamin Lenz
- [gmx-users] any chance to write avoid writing out trr but only xtc file ? XAvier Periole
- [gmx-users] any chance to write avoid writing out trr but only xtc file ? Justin A. Lemkul
- [gmx-users] Re: any chance to write avoid writing out trr but only xtc file ? Jörn-Benjamin Lenz
  - [gmx-users] Re: any chance to write avoid writing out trr but only xtc file ? Justin A. Lemkul
[gmx-users] amber force field in Gromacs servaas
- [gmx-users] amber force field in Gromacs Erik Marklund
[gmx-users] trjconv -pbc cluster with rhombic dodecahedron box Daniel Parton
[gmx-users] g_mindist , trajectory only CA atoms, to small values? shayamra at post.tau.ac.il
[gmx-users] Last step before CG em.mdp Francesco Pietra
- Fwd: [gmx-users] Last step before CG em.mdp Francesco Pietra
  - [gmx-users] Last step before CG em.mdp XAvier Periole
    - [gmx-users] Last step before CG em.mdp XAvier Periole
    - [gmx-users] Last step before CG em.mdp Francesco Pietra
    - [gmx-users] Last step before CG em.mdp Justin A. Lemkul
[gmx-users] trjconv -pbc cluster with rhombic dodecahedron box chris.neale at utoronto.ca
[gmx-users] trjconv -pbc cluster with rhombic dodecahedron box chris.neale at utoronto.ca
SV: [gmx-users] g_saltbr Sarah Witzke
- SV: [gmx-users] g_saltbr Justin A. Lemkul
  - SV: SV: [gmx-users] g_saltbr Sarah Witzke
    - SV: SV: [gmx-users] g_saltbr Mark Abraham
    - SV: SV: [gmx-users] g_saltbr Justin A. Lemkul
    - SV: SV: SV: [gmx-users] g_saltbr Sarah Witzke
    - SV: SV: SV: [gmx-users] g_saltbr Justin A. Lemkul
    - SV: SV: SV: [gmx-users] g_saltbr Tsjerk Wassenaar
    - SV: SV: SV: SV: [gmx-users] g_saltbr Sarah Witzke
    - SV: SV: SV: [gmx-users] g_saltbr Tsjerk Wassenaar
    - SV: SV: SV: SV: [gmx-users] g_saltbr Sarah Witzke
[gmx-users] g_mindist , trajectory only CA atoms, to small values? t.peter.Mueller at gmx.net
- [gmx-users] g_mindist , trajectory only CA atoms, to small values? Justin A. Lemkul
  - [gmx-users] g_mindist , trajectory only CA atoms, to small values? Shay Amram
- [gmx-users] g_mindist , trajectory only CA atoms, to small values? Tsjerk Wassenaar
[gmx-users] gromp error for gmxtest-4.0.4 and 3.3.3 on new gromacs-4.0.5 install Justin A. Lemkul
[gmx-users] re:re:when using RB dihedral function, how to exclude 1-4 vdw ? (TJ Piggot) XunJie Yang
[gmx-users] g_mindist , trajectory only CA atoms, to small values? t.peter.Mueller at gmx.net
- [gmx-users] g_mindist , trajectory only CA atoms, to small values? Justin A. Lemkul
[gmx-users] doing averages using g_angle Amit Choubey
- [gmx-users] doing averages using g_angle Mark Abraham
  - [gmx-users] doing averages using g_angle Amit Choubey
    - [gmx-users] doing averages using g_angle Mark Abraham
    - [gmx-users] doing averages using g_angle Amit Choubey
    - [gmx-users] doing averages using g_angle Mark Abraham
    - [gmx-users] doing averages using g_angle Amit Choubey
    - [gmx-users] doing averages using g_angle Justin A. Lemkul
    - [gmx-users] doing averages using g_angle Amit Choubey
    - [gmx-users] doing averages using g_angle Justin A. Lemkul
    - [gmx-users] doing averages using g_angle Amit Choubey
[gmx-users] For FFamber, should FudgeLJ variable in ffamber.itp be 0.0? XunJie Yang
- [gmx-users] For FFamber, should FudgeLJ variable in ffamber.itp be 0.0? Mark Abraham
- [gmx-users] For FFamber, should FudgeLJ variable in ffamber.itp be 0.0? TJ Piggot
[gmx-users] amber force field in Gromacs servaas
- [gmx-users] amber force field in Gromacs Lucio Ricardo Montero Valenzuela
[gmx-users] PMF calculation using g_wham using different simulation boxes Li Jianguo
- [gmx-users] PMF calculation using g_wham using different simulation boxes Justin A. Lemkul
[gmx-users] Re: any chance to write avoid writing out trr but only xtc file ? Jörn-Benjamin Lenz
- [gmx-users] Re: any chance to write avoid writing out trr but only xtc file ? XAvier Periole
- [gmx-users] Re: any chance to write avoid writing out trr but only xtc file ? Justin A. Lemkul
[gmx-users] PMF calculation using g_wham using different simulation boxes chris.neale at utoronto.ca
[gmx-users] Re: amber force field in Gromacs servaas
[gmx-users] any chance to write avoid writing out trr but only xtc file ? chris.neale at utoronto.ca
- [gmx-users] any chance to write avoid writing out trr but only xtc file ? Berk Hess
[gmx-users] .cpt file not used for mdrun input in the absence of the -cpi flag chris.neale at utoronto.ca
[gmx-users] Pressure annealing in Gromacs? Jussi Lehtola
- [gmx-users] Pressure annealing in Gromacs? Mark Abraham
  - [gmx-users] Pressure annealing in Gromacs? Jussi Lehtola
    - [gmx-users] Pressure annealing in Gromacs? Mark Abraham
[gmx-users] any chance to write avoid writing out trr but only xtc file ? chris.neale at utoronto.ca
[gmx-users] Pressure annealing in Gromacs? chris.neale at utoronto.ca
- [gmx-users] Pressure annealing in Gromacs? Jussi Lehtola
[gmx-users] Gromacs 4.0.3 Mopac7 install Felipe Villanelo
[gmx-users] Exclusions in topology file seem not working for big systems Reza Salari
- [gmx-users] Exclusions in topology file seem not working for big systems David van der Spoel
  - [gmx-users] Exclusions in topology file seem not working for big systems Reza Salari
    - [gmx-users] Exclusions in topology file seem not working for big systems Berk Hess
    - [gmx-users] Exclusions in topology file seem not working for big systems Reza Salari
    - [gmx-users] Exclusions in topology file seem not working for big systems Berk Hess
    - [gmx-users] Exclusions in topology file seem not working for big systems Reza Salari
    - [gmx-users] Exclusions in topology file seem not working for big systems Berk Hess
    - [gmx-users] Exclusions in topology file seem not working for big systems Reza Salari
[gmx-users] RE: Mark & Justin - grompp error for gmxtest-4.0.4 and 3.3.3 on new gromacs-4.0.5 install Yirdaw, Robel Birru
- [gmx-users] RE: Mark & Justin - grompp error for gmxtest-4.0.4 and 3.3.3 on new gromacs-4.0.5 install Justin A. Lemkul
- [gmx-users] RE: Mark & Justin - grompp error for gmxtest-4.0.4 and 3.3.3 on new gromacs-4.0.5 install Mark Abraham
  - [gmx-users] RE: Mark & Justin - grompp error for gmxtest-4.0.4 and 3.3.3 on new gromacs-4.0.5 install Yirdaw, Robel Birru
[gmx-users] How to plot Pressure (bar) vs simulation time in ps Lum Nforbi
- [gmx-users] How to plot Pressure (bar) vs simulation time in ps Justin A. Lemkul
  - [gmx-users] How to plot Pressure (bar) vs simulation time in ps Mark Abraham
[gmx-users] Re: PMF calculation using g_wham using different simulation boxes Li Jianguo
[gmx-users] PMF calculation using g_wham using different simulation boxes chris.neale at utoronto.ca
[gmx-users] program to look at the coordination number naimah haron naimah
[gmx-users] program to look at the coordination number chris.neale at utoronto.ca
Re: [gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 (memory allocationerror) hema dhevi
- [gmx-users] Re:gmx-users Digest, Vol 67, Issue 150 (memory allocationerror) Justin A. Lemkul
[gmx-users] "coarse_grain.tcl" script does not show all of the coarse-grained bonds in vmd Ozge Engin
- [gmx-users] "coarse_grain.tcl" script does not show all of the coarse-grained bonds in vmd Nicolas Sapay
[gmx-users] spatial distribution function (SDF) naimah haron naimah
- [gmx-users] spatial distribution function (SDF) Dallas B. Warren
  - [gmx-users] fftw vs cmkl Dallas B. Warren
    - [gmx-users] fftw vs cmkl Mark Abraham
    - [gmx-users] fftw vs cmkl Dallas B. Warren
    - [gmx-users] fftw vs cmkl Mark Abraham
    - [gmx-users] fftw vs cmkl Dallas B. Warren
[gmx-users] Protonation and solvation software Lucio Ricardo Montero Valenzuela
- [gmx-users] Protonation and solvation software Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 68, Issue 21 Ozge Engin
[gmx-users] Fatal error: No such moleculetype Na vivek sharma
- [gmx-users] Fatal error: No such moleculetype Na Justin A. Lemkul
- [gmx-users] Fatal error: No such moleculetype Na Mark Abraham
[gmx-users] Reducing Standard Error output Jack Shultz
- [gmx-users] Reducing Standard Error output Tsjerk Wassenaar
  - [gmx-users] Reducing Standard Error output Jack Shultz
    - [gmx-users] Reducing Standard Error output Mark Abraham
    - [gmx-users] Reducing Standard Error output Jack Shultz
    - [gmx-users] Reducing Standard Error output Jack Shultz
    - [gmx-users] Reducing Standard Error output Mark Abraham
    - [gmx-users] Reducing Standard Error output Jack Shultz
    - [gmx-users] Reducing Standard Error output Mark Abraham
[gmx-users] g_densmap and xpm files albitauro at virgilio.it
[gmx-users] PBC screw Eudes Fileti
- [gmx-users] PBC screw Oliver Stueker
R: [gmx-users] g_densmap and xpm files albitauro at virgilio.it
[gmx-users] spatial distribution function (SDF) chris.neale at utoronto.ca
[gmx-users] Heat of vaporization in gromacs Vitaly V. Chaban
- [gmx-users] Heat of vaporization in gromacs David van der Spoel
[gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)? ms
- [gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)? Mark Abraham
  - [gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)? ms
    - [gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)? Justin A. Lemkul
    - [gmx-users] What is the exact difference in the g_energy output between LJ(1-4) LJ(SR) and LJ(LR)? ms
[gmx-users] LIE method Tatiana de Arruda Campos Brasil de Souza
- [gmx-users] LIE method Ran Friedman
  - [gmx-users] LIE method osmair oliveira
[gmx-users] topology and rtp file irene farabella
- [gmx-users] topology and rtp file Justin A. Lemkul
[gmx-users] helix tilt Stefan Hoorman
- [gmx-users] helix tilt Mark Abraham
[gmx-users] 1-4 interaction energies in g_energy Vitaly V. Chaban
- [gmx-users] 1-4 interaction energies in g_energy Mark Abraham
[gmx-users] looking for polar lipid pdb Francesco Pietra
- [gmx-users] looking for polar lipid pdb Justin A. Lemkul
[gmx-users] Radial distribution specifications Lum Nforbi
- [gmx-users] Radial distribution specifications Justin A. Lemkul
[gmx-users] Re: 1-4 interaction energies in g_energy Vitaly V. Chaban
- [gmx-users] Re: 1-4 interaction energies in g_energy Mark Abraham
[gmx-users] Re: amber force field in Gromacs servaas
[gmx-users] RF and TI Alexey Odinokov
- [gmx-users] RF and TI Berk Hess
  - [gmx-users] RF and TI Alexey Odinokov
[gmx-users] xmgrace pawan raghav
- [gmx-users] xmgrace Justin A. Lemkul
[gmx-users] Re:Re: helix tilt Stefan Hoorman
- [gmx-users] Re:Re: helix tilt Mark Abraham
[gmx-users] g_mindist after trjconv -fit give different results eladp at post.tau.ac.il
- [gmx-users] g_mindist after trjconv -fit give different results Tsjerk Wassenaar
[gmx-users] dihedral restraints in gromacs 4.0.5 Steven Ari Beasley
- [gmx-users] dihedral restraints in gromacs 4.0.5 Justin A. Lemkul
[gmx-users] mpispawn.c:303 Unexpected exit status shivkumar bale
- [gmx-users] mpispawn.c:303 Unexpected exit status Justin A. Lemkul
[gmx-users] gen_vel leila karami
- [gmx-users] gen_vel Mark Abraham
[gmx-users] Problems pawan raghav
- [gmx-users] Problems Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 68, Issue 35 Stefan Hoorman
- [gmx-users] Re: gmx-users Digest, Vol 68, Issue 35 Mark Abraham
[gmx-users] periodic carbon nanotubes Andrea Minoia
[gmx-users] intramolecular LJ and Coulomb interactions Vitaly V. Chaban
- [gmx-users] intramolecular LJ and Coulomb interactions Justin A. Lemkul
  - [gmx-users] Re: intramolecular LJ and Coulomb interactions Vitaly V. Chaban
    - [gmx-users] Re: intramolecular LJ and Coulomb interactions Justin A. Lemkul
[gmx-users] Questions about hydrogen bond lifetime Jian Dai
- [gmx-users] Questions about hydrogen bond lifetime David van der Spoel
[gmx-users] pdb2gmx error 刘文
- [gmx-users] pdb2gmx error Justin A. Lemkul
[gmx-users] DNA coarse grain simulation Hans HEINDL
- [gmx-users] DNA coarse grain simulation Justin A. Lemkul
- [gmx-users] DNA coarse grain simulation XAvier Periole
[gmx-users] Gromacs-4.0.6 released Erik Lindahl
- [gmx-users] Gromacs-4.0.6 released Erik Lindahl
[gmx-users] g_mindist after trjconv -fit give different results eladp at post.tau.ac.il
- [gmx-users] g_mindist after trjconv -fit give different results Tsjerk Wassenaar
[gmx-users] Fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Nilesh Dhumal
[gmx-users] Fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Nilesh Dhumal
- [gmx-users] Fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Justin A. Lemkul
[gmx-users] Grompp failed under double precision Jack Shultz
- [gmx-users] Grompp failed under double precision Justin A. Lemkul
  - [gmx-users] Grompp failed under double precision Jack Shultz
    - [gmx-users] Grompp failed under double precision Mark Abraham
[gmx-users] Parallel Installation of gromacs Mahendran E
- [gmx-users] Parallel Installation of gromacs Justin A. Lemkul
- [gmx-users] Parallel Installation of gromacs Mark Abraham
[gmx-users] minimum residue distances Carla Jamous
- [gmx-users] minimum residue distances Tsjerk Wassenaar
[gmx-users] Strange Gromacs4 trajectory visualisation with VMD Kukol, Andreas
- [gmx-users] Strange Gromacs4 trajectory visualisation with VMD Justin A. Lemkul
  - [gmx-users] Strange Gromacs4 trajectory visualisation with VMD Kukol, Andreas
- [gmx-users] Strange Gromacs4 trajectory visualisation with VMD Matthew Hoopes
[gmx-users] Re: Regarding parallel execution Justin A. Lemkul
- [gmx-users] Essential dynamics analysis Austin B. Yongye
[gmx-users] area per lipid nittopuran natya
- [gmx-users] area per lipid Justin A. Lemkul
[gmx-users] g_helixorient problem Stefan Hoorman
- [gmx-users] g_helixorient problem Mark Abraham
[gmx-users] Two Types of van de Waals interactions in one system hong bingbing
- [gmx-users] Two Types of van de Waals interactions in one system Mark Abraham
  - [gmx-users] Two Types of van de Waals interactions in one system XAvier Periole
    - [gmx-users] Two Types of van de Waals interactions in one system Zhe Wu
    - [gmx-users] Two Types of van de Waals interactions in one system David van der Spoel
    - [gmx-users] Two Types of van de Waals interactions in one system Zhe Wu
    - [gmx-users] Two Types of van de Waals interactions in one system David van der Spoel
    - [gmx-users] Two Types of van de Waals interactions in one system Zhe Wu
    - [gmx-users] Two Types of van de Waals interactions in one system Mark Abraham
[gmx-users] 2 questions Алексей Раевский
- [gmx-users] 2 questions Mark Abraham
[gmx-users] Re: mpispawn.c:303 Unexpected exit status Justin A. Lemkul
[gmx-users] energy conservation with lookup table Zhe Wu
[gmx-users] mpispawn.c:303 Unexpected exit status shivkumar bale
- [gmx-users] mpispawn.c:303 Unexpected exit status Justin A. Lemkul
  - [gmx-users] mpispawn.c:303 Unexpected exit status shivkumar bale
    - [gmx-users] mpispawn.c:303 Unexpected exit status Justin A. Lemkul
    - [gmx-users] mpispawn.c:303 Unexpected exit status shivkumar bale
    - [gmx-users] mpispawn.c:303 Unexpected exit status Justin A. Lemkul
    - [gmx-users] mpispawn.c:303 Unexpected exit status shivkumar bale
    - [gmx-users] mpispawn.c:303 Unexpected exit status Justin A. Lemkul
[gmx-users] gromacs.. Henry Ynag
- [gmx-users] gromacs.. Justin A. Lemkul
  - [gmx-users] gromacs.. Henry Yang
    - [gmx-users] gromacs.. Justin A. Lemkul
    - [gmx-users] gromacs.. XAvier Periole
  - Fw: [gmx-users] gromacs.. Henry Yang
[gmx-users] xmgrace plot Henry Yang
- [gmx-users] xmgrace plot Jon Fuller
  - [gmx-users] xmgrace plot Henry Yang
    - [gmx-users] xmgrace plot Justin A. Lemkul
[gmx-users] DNA bending angle leila karami
- [gmx-users] DNA bending angle Justin A. Lemkul
[gmx-users] Re: xmgrace plot rituraj purohit
[gmx-users] g_energy leila karami
- [gmx-users] g_energy Justin A. Lemkul
[gmx-users] functional form of PRODRG dihedrals Jennifer Williams
- [gmx-users] functional form of PRODRG dihedrals Justin A. Lemkul
[gmx-users] Re:Re: g_helixorient problem stefhoor
- [gmx-users] Re:Re: g_helixorient problem Dallas B. Warren
[gmx-users] using trjconv to get a 2x2x2 unit cell for traj.xtc Jennifer Williams
- [gmx-users] using trjconv to get a 2x2x2 unit cell for traj.xtc Justin A. Lemkul
  - [gmx-users] using trjconv to get a 2x2x2 unit cell for traj.xtc Jennifer Williams
- [gmx-users] using trjconv to get a 2x2x2 unit cell for traj.xtc Ran Friedman
[gmx-users] using trjconv to get a 2x2x2 unit cell for traj.xtc Justin A. Lemkul
[gmx-users] g_rms (rmsd vs residue no) leila karami
- [gmx-users] g_rms (rmsd vs residue no) Tsjerk Wassenaar
- [gmx-users] g_rms (rmsd vs residue no) João M. Damas
[gmx-users] rmsd vs residue no leila karami
[gmx-users] g_confrms leila karami
- [gmx-users] g_confrms Mark Abraham
[gmx-users] include file mechanism pope.itp in protein-membrane system irene farabella
- [gmx-users] include file mechanism pope.itp in protein-membrane system Justin A. Lemkul
[gmx-users] How to calculate the PMF? lammps lammps
- [gmx-users] How to calculate the PMF? Justin A. Lemkul
[gmx-users] pdb vs xtc with g_bond and g_angle sandeep somani
- [gmx-users] pdb vs xtc with g_bond and g_angle Mark Abraham
[gmx-users] New to Gromacs -- looking for insights Simone Pellegrini
- [gmx-users] New to Gromacs -- looking for insights Justin A. Lemkul
- [gmx-users] New to Gromacs -- looking for insights Mark Abraham
  - [gmx-users] New to Gromacs -- looking for insights Simone Pellegrini
    - [gmx-users] New to Gromacs -- looking for insights Mark Abraham
[gmx-users] path Nilesh Dhumal
- [gmx-users] path Justin A. Lemkul
[gmx-users] amber ports folder in GROMACS Andrew Voronkov
- [gmx-users] amber ports folder in GROMACS Justin A. Lemkul
[gmx-users] To continue a run Lum Nforbi
- [gmx-users] To continue a run Carsten Kutzner
[gmx-users] combining minimization and md Jack Shultz
- [gmx-users] combining minimization and md Justin A. Lemkul
[gmx-users] Re: Asking for help into crystalline organic Compound Simulations David van der Spoel
[gmx-users] RDF plot. This is weird! Lum Nforbi
- [gmx-users] RDF plot. This is weird! Justin A. Lemkul
- [gmx-users] Fwd: RDF plot. This is weird! Lum Nforbi
  - [gmx-users] Fwd: RDF plot. This is weird! Justin A. Lemkul
[gmx-users] How to add NaCl to bulk liquid water GZ Zhang
- [gmx-users] How to add NaCl to bulk liquid water Justin A. Lemkul
[gmx-users] Reproducing Chain Tilt on DPPC gel phase with Martini FF César Ávila
- [gmx-users] Reproducing Chain Tilt on DPPC gel phase with Martini FF XAvier Periole
  - [gmx-users] Reproducing Chain Tilt on DPPC gel phase with Martini FF César Ávila
[gmx-users] Re: RDF plot. This is weird! Lum Nforbi
- [gmx-users] Re: RDF plot. This is weird! Justin A. Lemkul
[gmx-users] Problems with calculating Cv and Cp Lum Nforbi
- [gmx-users] Problems with calculating Cv and Cp Andrew Paluch
[gmx-users] Charge neutralization Arden Perkins
- [gmx-users] Charge neutralization Mark Abraham
[gmx-users] energy minimization subarna thakur
- [gmx-users] energy minimization Mark Abraham
  - [gmx-users] energy minimization subarna thakur
    - [gmx-users] energy minimization Justin A. Lemkul
[gmx-users] gromacs installation on Vista maryam zargarzadeh
- [gmx-users] gromacs installation on Vista Mark Abraham
[gmx-users] how to plot free enenrgy landscape and exact corresponding conformation xi zhao
- [gmx-users] how to plot free enenrgy landscape and exact corresponding conformation David van der Spoel
[gmx-users] How to increase nodes in mdrun option Mahendran E
- [gmx-users] How to increase nodes in mdrun option Justin A. Lemkul
- [gmx-users] How to increase nodes in mdrun option ms
- [gmx-users] How to increase nodes in mdrun option Mahendran E
  - [gmx-users] How to increase nodes in mdrun option Justin A. Lemkul
  - [gmx-users] How to increase nodes in mdrun option Carsten Kutzner
  - [gmx-users] How to increase nodes in mdrun option Mark Abraham
[gmx-users] some questions about umbrella sampling mircial at sjtu.edu.cn
[gmx-users] some questions about umbrella sampling chris.neale at utoronto.ca
[gmx-users] g_velacc problem Ramachandran G
[gmx-users] Msd of molecule center of mass (g_msd -mol with -rmcomm) Matthew Hoopes
[gmx-users] splitting a trajectory Ramachandran G
- [gmx-users] splitting a trajectory Justin A. Lemkul
  - [gmx-users] splitting a trajectory Dallas B. Warren
  - [gmx-users] splitting a trajectory Ramachandran G
    - [gmx-users] splitting a trajectory Justin A. Lemkul
    - [gmx-users] splitting a trajectory Ramachandran G
[gmx-users] Wrong bond and Lennard-Jones potentials in cyclohexane Henri Ervasti
- [gmx-users] Wrong bond and Lennard-Jones potentials in cyclohexane Mark Abraham
- [gmx-users] Wrong bond and Lennard-Jones potentials in cyclohexane Carl Caleman
[gmx-users] plot of mutual orienatation Nilesh Dhumal
- [gmx-users] plot of mutual orienatation Justin A. Lemkul
  - [gmx-users] plot of mutual orienatation Nilesh Dhumal
    - [gmx-users] plot of mutual orienatation Justin A. Lemkul
    - [gmx-users] plot of mutual orienatation Nilesh Dhumal
    - [gmx-users] plot of mutual orienatation Justin A. Lemkul
    - [gmx-users] plot of mutual orienatation Nilesh Dhumal
    - [gmx-users] plot of mutual orienatation Justin A. Lemkul
[gmx-users] simulation with non-zero total charge seunghwan lee
- [gmx-users] simulation with non-zero total charge Mark Abraham
  - [gmx-users] simulation with non-zero total charge seunghwan lee
    - [gmx-users] simulation with non-zero total charge Mark Abraham
[gmx-users] tip5p water model topology Ramachandran G
- [gmx-users] tip5p water model topology Justin A. Lemkul
[gmx-users] where is the gromacs 4.0.6/7 revision list? chris.neale at utoronto.ca
- [gmx-users] where is the gromacs 4.0.6/7 revision list? Mark Abraham
[gmx-users] where is the gromacs 4.0.6/7 revision list? chris.neale at utoronto.ca
- [gmx-users] where is the gromacs 4.0.6/7 revision list? Mark Abraham
  - [gmx-users] where is the gromacs 4.0.6/7 revision list? Justin A. Lemkul
[gmx-users] gmx-GRACE problem pawan raghav
- [gmx-users] gmx-GRACE problem Justin A. Lemkul
[gmx-users] where is the gromacs 4.0.6/7 revision list? chris.neale at utoronto.ca
- [gmx-users] where is the gromacs 4.0.6/7 revision list? Mark Abraham
[gmx-users] Hi pawan raghav
- [gmx-users] Hi Justin A. Lemkul
[gmx-users] typo for opls_179 (OS) and opls_180 (OS) in ffoplsaanb.itp Pradip Biswas
[gmx-users] 1-4 ineractions in double precision Jessé Nóbrega
- [gmx-users] 1-4 ineractions in double precision Justin A. Lemkul
  - [gmx-users] 1-4 ineractions in double precision Justin A. Lemkul
[gmx-users] GRACE pawan raghav
- [gmx-users] GRACE ms
- [gmx-users] GRACE Mark Abraham
[gmx-users] trajectory info D D
- [gmx-users] trajectory info Mark Abraham
  - [gmx-users] trajectory info Omer Markovitch
    - [gmx-users] trajectory info D D
[gmx-users] superimposition leila karami
- [gmx-users] superimposition Mark Abraham
[gmx-users] superimposition leila karami
- [gmx-users] superimposition David van der Spoel
- [gmx-users] superimposition Mark Abraham
[gmx-users] free energy perturbation Giovanni Bussi
- [gmx-users] free energy perturbation Berk Hess
  - [gmx-users] free energy perturbation Giovanni Bussi
[gmx-users] do_dssp Installation instructions in case you have errors Kirill Bessonov
- [gmx-users] do_dssp Installation instructions in case you have errors Mark Abraham
[gmx-users] Can I combine my old and new .trr files? Nilesh Dhumal
- [gmx-users] Can I combine my old and new .trr files? XAvier Periole
[gmx-users] Check for bad contacts and/or reduce the timestep nishap.patel at utoronto.ca
- [gmx-users] Check for bad contacts and/or reduce the timestep Justin A. Lemkul
[gmx-users] Check for bad contacts and/or reduce the timestep nishap.patel at utoronto.ca
[gmx-users] Check for bad contacts and/or reduce the timestep Justin A. Lemkul
[gmx-users] Freeze backbone & Pressure scaling more than 1% 이진희
- [gmx-users] Freeze backbone & Pressure scaling more than 1% Mark Abraham
[gmx-users] freeze backbone & Pressure scaling error 이진희
[gmx-users] typo in ffoplsaanb.itp for opls_179 (OS) and opls_180 (OS) Pradip Biswas
- [gmx-users] typo in ffoplsaanb.itp for opls_179 (OS) and opls_180 (OS) Mark Abraham
  - [gmx-users] typo in ffoplsaanb.itp for opls_179 (OS) and opls_180 (OS) Pradip Biswas
[gmx-users] Hi ashish pandey
- [gmx-users] Hi XAvier Periole
[gmx-users] g_sdf and visualizing using gOpenMol Jennifer Williams
- [gmx-users] g_sdf and visualizing using gOpenMol Dallas B. Warren
  - [gmx-users] g_sdf and visualizing using gOpenMol Dallas B. Warren
  - [gmx-users] g_sdf and visualizing using gOpenMol Dallas B. Warren
[gmx-users] Re: Regarding g_rmsf rituraj purohit
- [gmx-users] Re: Regarding g_rmsf Justin A. Lemkul
[gmx-users] Check for bad contacts and/or reduce the timestep Thomas Schlesier
- [gmx-users] Check for bad contacts and/or reduce the timestep nishap.patel at utoronto.ca
  - [gmx-users] Check for bad contacts and/or reduce the timestep Justin A. Lemkul
    - [gmx-users] Check for bad contacts and/or reduce the timestep nishap.patel at utoronto.ca
    - [gmx-users] Check for bad contacts and/or reduce the timestep Justin A. Lemkul
    - [gmx-users] Check for bad contacts and/or reduce the timestep nishap.patel at utoronto.ca
[gmx-users] DPPC to CG DPPC sunny mishra
- [gmx-users] DPPC to CG DPPC Justin A. Lemkul
- [gmx-users] DPPC to CG DPPC XAvier Periole
  - [gmx-users] DPPC to CG DPPC sunny mishra
    - [gmx-users] DPPC to CG DPPC XAvier Periole
    - [gmx-users] DPPC to CG DPPC sunny mishra
    - [gmx-users] DPPC to CG DPPC XAvier Periole
    - [gmx-users] DPPC to CG DPPC sunny mishra
    - [gmx-users] DPPC to CG DPPC XAvier Periole
    - [gmx-users] New ion parameters and OPLS-AA Reza Salari
    - [gmx-users] New ion parameters and OPLS-AA Andrew Paluch
    - [gmx-users] New ion parameters and OPLS-AA Reza Salari
    - [gmx-users] New ion parameters and OPLS-AA David van der Spoel
    - [gmx-users] New ion parameters and OPLS-AA Reza Salari
    - [gmx-users] New ion parameters and OPLS-AA Alexandre Suman de Araujo
    - [gmx-users] New ion parameters and OPLS-AA Reza Salari
    - [gmx-users] New ion parameters and OPLS-AA David van der Spoel
    - [gmx-users] New ion parameters and OPLS-AA Reza Salari
[gmx-users] New ion parameters and OPLS-AA eladp at post.tau.ac.il
[gmx-users] freeze group subarna thakur
- [gmx-users] freeze group Justin A. Lemkul
[gmx-users] Denaturation of Proteins by MARTINI Coarse-Graining Forse Field rasoul nasiri
- [gmx-users] Denaturation of Proteins by MARTINI Coarse-Graining Forse Field XAvier Periole
[gmx-users] Frequency confout is updated Jack Shultz
- [gmx-users] Frequency confout is updated Justin A. Lemkul
- [gmx-users] Frequency confout is updated Mark Abraham
  - [gmx-users] Frequency confout is updated Jack Shultz
    - [gmx-users] Frequency confout is updated Mark Abraham
[gmx-users] RDF methanol and water nishap.patel at utoronto.ca
- [gmx-users] RDF methanol and water Justin A. Lemkul
[gmx-users] Check for bad contacts and/or reduce the timestep chris.neale at utoronto.ca
[gmx-users] Frequency confout is updated chris.neale at utoronto.ca
[gmx-users] sulfate atomtype for ffgmx Niesen, Michiel
- [gmx-users] sulfate atomtype for ffgmx Justin A. Lemkul
- [gmx-users] sulfate atomtype for ffgmx Mark Abraham
[gmx-users] Problem with Gromacs-CPMD Pradip Biswas
[gmx-users] [Fwd: installing gromacs on vista] Mark Abraham
[gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
- [gmx-users] How can I reconstruct the system in CGMD simulation? Mark Abraham
  - [gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
    - [gmx-users] How can I reconstruct the system in CGMD simulation? César Ávila
    - [gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
    - [gmx-users] How can I reconstruct the system in CGMD simulation? Justin A. Lemkul
    - [gmx-users] How can I reconstruct the system in CGMD simulation? César Ávila
    - [gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
    - [gmx-users] How can I reconstruct the system in CGMD simulation? Justin A. Lemkul
    - [gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
    - [gmx-users] How can I reconstruct the system in CGMD simulation? Justin A. Lemkul
    - [gmx-users] How can I reconstruct the system in CGMD simulation? rasoul nasiri
    - [gmx-users] How can I reconstruct the system in CGMD simulation? Justin A. Lemkul
[gmx-users] the resource of Vdw Radii in Vdwradii.dat huikuan chao
- [gmx-users] the resource of Vdw Radii in Vdwradii.dat David van der Spoel
[gmx-users] How is calculated the bind free energy GROMACS??? deisy yurley rodriguez sarmiento
[gmx-users] Re: gmx-users Digest, Vol 68, Issue 86 Alan Chen
[gmx-users] Re: sulfate atomtype for ffgmx (Justin A. Lemkul) Niesen, Michiel
- [gmx-users] Re: sulfate atomtype for ffgmx (Justin A. Lemkul) Justin A. Lemkul
[gmx-users] error with changing pdb file ksm tprk
- [gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] LIE precision and accuracy Marc Charendoff
- [gmx-users] LIE precision and accuracy David van der Spoel
[gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] LIE precision and accuracy chris.neale at utoronto.ca
[gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] trjcat error Anirban Ghosh
- [gmx-users] trjcat error Tsjerk Wassenaar
  - [gmx-users] trjcat error Anirban Ghosh
    - [gmx-users] trjcat error Mark Abraham
    - [gmx-users] trjcat error Anirban Ghosh
    - [gmx-users] trjcat error Mark Abraham
[gmx-users] reference for make_edi -linacc chris.neale at utoronto.ca
- [gmx-users] reference for make_edi -linacc Ran Friedman
- [gmx-users] reference for make_edi -linacc Carsten Kutzner
[gmx-users] pdb2gmx -merge non interactive Wojtyczka, André
- [gmx-users] pdb2gmx -merge non interactive Oliver Stueker
[gmx-users] reference for make_edi -linacc chris.neale at utoronto.ca
[gmx-users] problems with intel I7 (2.67 GHz) XAvier Periole
- [gmx-users] problems with intel I7 (2.67 GHz) Alexey Shvetsov
  - [gmx-users] problems with intel I7 (2.67 GHz) David van der Spoel
    - [gmx-users] problems with intel I7 (2.67 GHz) Alexey Shvetsov
[gmx-users] pdb2gmx -merge non interactive chris.neale at utoronto.ca
- [gmx-users] pdb2gmx -merge non interactive Wojtyczka, André
[gmx-users] pdb2gmx -merge non interactive chris.neale at utoronto.ca
- [gmx-users] pdb2gmx -merge non interactive Wojtyczka, André
[gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] error with changing pdb file Justin A. Lemkul
[gmx-users] exclusive list of matching searches on the gmx-users list chris.neale at utoronto.ca
[gmx-users] Residue interaction energy abelius
- [gmx-users] Residue interaction energy Justin A. Lemkul
  - [gmx-users] Residue interaction energy abelius
    - [gmx-users] Residue interaction energy Justin A. Lemkul
[gmx-users] essential dynamics mdrun with SD integrator yields segmentation fault chris.neale at utoronto.ca
- [gmx-users] essential dynamics mdrun with SD integrator yields segmentation fault Carsten Kutzner
[gmx-users] Enc: 1-4 ineractions in double precision Jessé Nóbrega
- [gmx-users] Enc: 1-4 ineractions in double precision Justin A. Lemkul
[gmx-users] multiple eigenvectors with -linfix and the application of eigenvalues chris.neale at utoronto.ca
- [gmx-users] multiple eigenvectors with -linfix and the application of eigenvalues Carsten Kutzner
[gmx-users] how to obtain corresponding conformation for each point in the 2-D projection xi zhao
- [gmx-users] Principal axis (g_principal) Sarah Witzke
- [gmx-users] how to obtain corresponding conformation for each point in the 2-D projection Tsjerk Wassenaar
  - [gmx-users] how to obtain corresponding conformation for each point in the 2-D projection xi zhao
[gmx-users] exert of special pH leila karami
- [gmx-users] exert of special pH Justin A. Lemkul
[gmx-users] How to calculate PN vector head group angle... Henry Yang
- [gmx-users] How to calculate PN vector head group angle... David van der Spoel
[gmx-users] [Fwd: Gromacs podcast is out] David van der Spoel
[gmx-users] Why density increase with increasing the cutoff length? Yanmei Song
- [gmx-users] Why density increase with increasing the cutoff length? David van der Spoel
  - [gmx-users] Why density increase with increasing the cutoff length? Yanmei Song
    - [gmx-users] Why density increase with increasing the cutoff length? David van der Spoel
- [gmx-users] Why density increase with increasing the cutoff length? XAvier Periole
  - [gmx-users] Why density increase with increasing the cutoff length? David van der Spoel
    - [gmx-users] Why density increase with increasing the cutoff length? XAvier Periole
- [gmx-users] Why density increase with increasing the cutoff length? Arden Perkins
  - [gmx-users] Why density increase with increasing the cutoff length? Mark Abraham
  - [gmx-users] Why density increase with increasing the cutoff length? XAvier Periole
[gmx-users] calculaton of electrostatic potential Henry Yang
- [gmx-users] calculaton of electrostatic potential Mark Abraham
[gmx-users] multiple eigenvectors with -linfix and the application of eigenvalues chris.neale at utoronto.ca
[gmx-users] editconf. david.lisgarten at canterbury.ac.uk
- [gmx-users] editconf. Carsten Kutzner
  - [gmx-users] editconf. Mark Abraham
[gmx-users] Solvent Accessible Area with different Claculation Groups Petridis, Loukas
- [gmx-users] Solvent Accessible Area with different Claculation Groups Justin A. Lemkul
  - [gmx-users] Solvent Accessible Area with different Claculation Groups David van der Spoel
[gmx-users] Using GENCONF Lum Nforbi
- [gmx-users] Using GENCONF Mark Abraham
[gmx-users] superimposed structures leila karami
- [gmx-users] superimposed structures Mark Abraham
[gmx-users] steered MD simulation for calculating the PMF lammps lammps
- [gmx-users] steered MD simulation for calculating the PMF Justin A. Lemkul
[gmx-users] calculation of chemical shift anisotropy Moutusi Manna
[gmx-users] superimposed structures leila karami
- [gmx-users] superimposed structures Mark Abraham
[gmx-users] g_mindist -or inconsistencies with atom-pairs shayamra at post.tau.ac.il
- [gmx-users] g_mindist -or inconsistencies with atom-pairs Ran Friedman
  - [gmx-users] g_mindist -or inconsistencies with atom-pairs Shay Amram
[gmx-users] help ashish pandey
- [gmx-users] help Justin A. Lemkul
- [gmx-users] help David van der Spoel
[gmx-users] implicit solvent servaas
[gmx-users] trjconv -pbc: how to keep all parts of the system "clustered" together in PDB? Visvaldas K.
- [gmx-users] trjconv -pbc: how to keep all parts of the system "clustered" together in PDB? Mark Abraham
  - [gmx-users] trjconv -pbc: how to keep all parts of the system "clustered" together in PDB? Visvaldas K.
[gmx-users] Solvent Accessible Area with different Claculation Groups Benjamin Lindner
- [gmx-users] Solvent Accessible Area with different Claculation Groups Justin A. Lemkul
[gmx-users] A problem with a "detaching Calpha/s" Arik Cohen
- [gmx-users] A problem with a "detaching Calpha/s" Mark Abraham
[gmx-users] How to put more solutes into the system ? Chih-Ying Lin
- [gmx-users] How to put more solutes into the system ? Mark Abraham
[gmx-users] (no subject) Mohammad Ghahramanpour
- [gmx-users] (no subject) Mark Abraham
[gmx-users] difference between rmsd and rmsf leila karami
- [gmx-users] difference between rmsd and rmsf XAvier Periole
[gmx-users] MSD afsaneh maleki
- [gmx-users] MSD Justin A. Lemkul
[gmx-users] How to put more solutes into the system ? Chih-Ying Lin
- [gmx-users] How to put more solutes into the system ? Mark Abraham
[gmx-users] Depth of penetration of DMPC lipid bilayer. How? Kirill Bessonov
- [gmx-users] Depth of penetration of DMPC lipid bilayer. How? Justin A. Lemkul
- [gmx-users] Depth of penetration of DMPC lipid bilayer. How? Pavan Ghatty
[gmx-users] Protein-ligand P.R.Anand Narayanan
- [gmx-users] Protein-ligand Justin A. Lemkul
[gmx-users] make_edi fails with multiple eigenvectors for -linfix and -linacc chris.neale at utoronto.ca
- [gmx-users] make_edi fails with multiple eigenvectors for -linfix and -linacc Carsten Kutzner
[gmx-users] Depth of penetration of DMPC lipid bilayer. How? chris.neale at utoronto.ca
[gmx-users] Re: Help with Gromacs Tsjerk Wassenaar
[gmx-users] Segmentation Fault Problem Nancy
[gmx-users] How to put more solutes into the system ? Chih-Ying Lin
[gmx-users] metal-oxide jmahalik at polysci.umass.edu
- [gmx-users] metal-oxide Mark Abraham
[Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
- [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Mark Abraham
  - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
[gmx-users] Turn off the electrostatic interaction between two particular groups Li Jianguo
- [gmx-users] Turn off the electrostatic interaction between two particular groups Mark Abraham
[gmx-users] fix a group in truncated octahedron lammps lammps
- [gmx-users] fix a group in truncated octahedron lammps lammps
  - [gmx-users] fix a group in truncated octahedron lammps lammps
    - [gmx-users] fix a group in truncated octahedron Tsjerk Wassenaar
[gmx-users] Re: multiple protein in a simulation box Justin A. Lemkul
[gmx-users] Replica Exchange MD on more than 64 processors bharat v. adkar
- [gmx-users] Replica Exchange MD on more than 64 processors Mark Abraham
  - [gmx-users] Replica Exchange MD on more than 64 processors bharat v. adkar
    - [gmx-users] Replica Exchange MD on more than 64 processors Mark Abraham
    - [gmx-users] Replica Exchange MD on more than 64 processors bharat v. adkar
    - [gmx-users] Replica Exchange MD on more than 64 processors Mark Abraham
    - [gmx-users] Replica Exchange MD on more than 64 processors bharat v. adkar
    - [gmx-users] Replica Exchange MD on more than 64 processors David van der Spoel
    - [gmx-users] Replica Exchange MD on more than 64 processors bharat v. adkar
    - [gmx-users] Replica Exchange MD on more than 64 processors Mark Abraham
[gmx-users] Fatal Error: Segmentation Fault Nancy
- [gmx-users] Fatal Error: Segmentation Fault Justin A. Lemkul
[gmx-users] tpr older version message Jack Shultz
- [gmx-users] tpr older version message Mark Abraham
  - [gmx-users] tpr older version message Jack Shultz
    - [gmx-users] tpr older version message Mark Abraham
    - [gmx-users] tpr older version message Jack Shultz
    - [gmx-users] tpr older version message Justin A. Lemkul
[gmx-users] fix a group in truncated octahedron chris.neale at utoronto.ca
- [gmx-users] fix a group in truncated octahedron lammps lammps
  - [gmx-users] fix a group in truncated octahedron Mark Abraham
[gmx-users] Decoupling of Coul. and LJ separately in free energy calculation Eudes Fileti
[gmx-users] convert B-factor AntonioLeung
- [gmx-users] convert B-factor Mark Abraham
[gmx-users] protein simulation edmund lee
- [gmx-users] protein simulation Mark Abraham
[gmx-users] convert B-factor AntonioLeung
- [gmx-users] convert B-factor Tsjerk Wassenaar
[gmx-users] conversion between harmonic bonds/angles and GROMOS96 bonds/angles Michael Feig
[gmx-users] trjconv -pbc: how to keep all parts of the system "clustered" together in PDB? Visvaldas K.
[gmx-users] Problems with umbrella sampling Amir Marcovitz
- [gmx-users] Problems with umbrella sampling Justin A. Lemkul
  - [gmx-users] Problems with umbrella sampling Amir Marcovitz
    - [gmx-users] Problems with umbrella sampling Justin A. Lemkul
[gmx-users] trjconv -pbc: how to keep all parts of the system "clustered" together in PDB? chris.neale at utoronto.ca
[gmx-users] the code speed between Gromacs 3.0 and Gromacs 4.0 Dechang Li
- [gmx-users] the code speed between Gromacs 3.0 and Gromacs 4.0 Justin A. Lemkul
[gmx-users] linc warnings subarna thakur
- [gmx-users] linc warnings Justin A. Lemkul
  - [gmx-users] linc warnings subarna thakur
    - [gmx-users] linc warnings Justin A. Lemkul
    - [gmx-users] linc warnings Justin A. Lemkul
[gmx-users] mpi code in the gromacs utilities Vitaly V. Chaban
- [gmx-users] mpi code in the gromacs utilities Justin A. Lemkul
[gmx-users] fix a group in truncated octahedron chris.neale at utoronto.ca
[gmx-users] some molecule clashing with another ? Chih-Ying Lin
- [gmx-users] some molecule clashing with another ? Justin A. Lemkul
[gmx-users] some molecule clashing with another ? Chih-Ying Lin
- [gmx-users] some molecule clashing with another ? Justin A. Lemkul
[gmx-users] How to modify or avoid some molecule clashing with another ? Chih-Ying Lin
- [gmx-users] How to modify or avoid some molecule clashing with another ? Justin A. Lemkul
[gmx-users] some molecule clashing with another ? Chih-Ying Lin
- [gmx-users] some molecule clashing with another ? Mark Abraham
[gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ? Chih-Ying Lin
- [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ? Justin A. Lemkul
- [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ? Mark Abraham
  - [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ? Tsjerk Wassenaar
[gmx-users] clashing happened inside the protein molecule? Chih-Ying Lin
[gmx-users] Break ? => Position restrained MD Chih-Ying Lin
- [gmx-users] Break ? => Position restrained MD Mark Abraham
[gmx-users] gromacs 4.06 binary for linux -redhat venkat
- [gmx-users] gromacs 4.06 binary for linux -redhat Justin A. Lemkul
  - [gmx-users] gromacs 4.06 binary for linux -redhat venkat
    - [gmx-users] gromacs 4.06 binary for linux -redhat Jussi Lehtola
    - [gmx-users] gromacs 4.06 binary for linux -redhat venkat
[gmx-users] PME node Vitaly V. Chaban
- [gmx-users] PME node Justin A. Lemkul
[gmx-users] grompp segmentation error ram bio
- [gmx-users] grompp segmentation error Justin A. Lemkul
[gmx-users] using mdrun in the supercomputer Asmaa Elsheshiny
- [gmx-users] using mdrun in the supercomputer Justin A. Lemkul
[Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
- [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
  - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Justin A. Lemkul
    - [Fwd: Re: [gmx-users] A problem with a "detaching Calpha/s"] Arik Cohen
[gmx-users] pdb file for ammonia nishap.patel at utoronto.ca
- [gmx-users] pdb file for ammonia Abu Naser
- [gmx-users] pdb file for ammonia Justin A. Lemkul
[gmx-users] pdb file for ammonia chris.neale at utoronto.ca

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Archived on: Thu Nov 14 12:07:56 CET 2013

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