April 2006 Archives by thread

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Starting: Sat Apr 1 02:42:12 CEST 2006
Ending: Sun Apr 30 22:35:51 CEST 2006
Messages: 541

• [gmx-users] Non-zero system charge   Mark Abraham
• [gmx-users] OPLS-AA angle types !!   ritwik kavathekar
  • [gmx-users] OPLS-AA angle types !!   David van der Spoel
• [gmx-users] Facing errors while running grompp   santosh naik
• [gmx-users] hi   santosh naik
• [gmx-users] error in pdb2gmx step   Annie Albin
• [gmx-users] Non-zero system charge   Erik Lindahl
• [gmx-users] N-terminus type PRO-NH   Mark Abraham
  • [gmx-users] N-terminus type PRO-NH   Nguyen Hoang Phuong
    • [gmx-users] N-terminus type PRO-NH   Mark Abraham
• [gmx-users] Fatal error: moleculetype CU1+ is redefined   Sridhar Acharya
• [gmx-users] principal component analysis   yoshizawa006 at yahoo.co.jp
  • [gmx-users] principal component analysis   David van der Spoel
    • [gmx-users] principal component analysis   yoshizawa006 at yahoo.co.jp
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] configure problem in SGI   David van der Spoel
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] configure problem in SGI   Erik Lindahl
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] configure problem in SGI   Erik Lindahl
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] configure problem in SGI   David van der Spoel
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] Error in compiling gromacs in SGI IRIX6.5   raja
      • [gmx-users] Error in compiling gromacs in SGI IRIX6.5   Tom Joseph
      • [gmx-users] configure problem in SGI   David van der Spoel
      • [gmx-users] configure problem in SGI   raja
      • [gmx-users] principal component analysis   David van der Spoel
• [gmx-users] cluster   Beniamino Sciacca
  • [gmx-users] cluster   David van der Spoel
    • [gmx-users] cluster   Beniamino Sciacca
      • [gmx-users] cluster   David van der Spoel
      • [gmx-users] cluster   Kushal Seth
      • [gmx-users] cluster   David van der Spoel
      • [gmx-users] cluster   Tom Joseph
• [gmx-users] Simulated Annealing-SINGLE precession   chandran karunakaran
• [gmx-users] principal component analysis   yoshizawa006 at yahoo.co.jp
• [gmx-users] H211 in ffG53a5   Ken Rotondi
• [gmx-users] H211 in ffG53a5   David Mathog
  • [gmx-users] H211 in ffG53a5   Ken Rotondi
• [gmx-users] QM/MM Compatible CPMD-3.11.1 Released!   Pradip Kumar Biswas
  • [gmx-users] QM/MM Compatible CPMD-3.11.1 Released!   Florian Haberl
    • [gmx-users] QM/MM Compatible CPMD-3.11.1 Released!   Pradip Kumar Biswas
• [gmx-users] H211 in ffG53a5   David Mathog
  • [gmx-users] H211 in ffG53a5   Ken Rotondi
• [gmx-users] 제목없음   안세나
  • [gmx-users] (no subject)   raja
• [gmx-users] User defined Potential Table   Rahul Godawat
  • [gmx-users] User defined Potential Table   Yang Ye
• [gmx-users] Building Helical Polymer   Rahul B Kasat
• [gmx-users] Membrane error   Kushal Seth
  • [gmx-users] Membrane error   X.Periole
  • [gmx-users] Membrane error   Sukit Leekumjorn
    • [gmx-users] Membrane error   Kushal Seth
      • [gmx-users] Membrane error   Mark Abraham
• [gmx-users] Re: User defined Potential Table   Rahul Godawat
  • [gmx-users] Re: User defined Potential Table   Yang Ye
• [gmx-users] lincs warning   Rongliang Wu
• [gmx-users] how to remove solvent molecules from xtc files   hayagreevan R
• [gmx-users] energy files   Raghunadha Reddy Burri
  • [gmx-users] energy files   David van der Spoel
  • [gmx-users] energy files   Yang Ye
• [gmx-users] topology database   Dhananjay
  • [gmx-users] topology database   Jochen Hub
• [gmx-users] grompp error   Super Sayan
  • [gmx-users] grompp error   MGiò
• [gmx-users] NS in PME   Janne Hirvi
  • [gmx-users] NS in PME   David van der Spoel
    • [gmx-users] Projecting on Eigen vector   raja
• [gmx-users] Re: Problem with simulated annealing!!!   poornima Gajendrarao
  • [gmx-users] Re: Problem with simulated annealing!!!   Mark Abraham
• [gmx-users] Topology database   Dhananjay
  • [gmx-users] Topology database   David van der Spoel
• [gmx-users] Re: Projecting on Eigen vector   Vojtěch Spiwok
  • [gmx-users] Re: Projecting on Eigen vector   raja
• [gmx-users] problem caused by removed [ pairs ] in OPLS   Rongliang Wu
• [gmx-users] Re: problem caused by removed [ pairs ] in OPLS   David van der Spoel
• [gmx-users] 3.3mannual   Rongliang Wu
• [gmx-users] Hi   santosh naik
  • [gmx-users] Hi   Adriana Pietropaolo
    • [gmx-users] Hi   Tsjerk Wassenaar
      • [gmx-users] Hi   TJ Piggot
  • [gmx-users] Hi   Mark Abraham
  • [gmx-users] Hi   bharat v. adkar
• [gmx-users] ffG43a2x and ffgmx dppc.itp file   P
  • [gmx-users] ffG43a2x and ffgmx dppc.itp file   Mark Abraham
  • [gmx-users] ffG43a2x and ffgmx dppc.itp file   Steffen Wolf
• [gmx-users] Building Polymer in PBC   Rahul B Kasat
• [gmx-users] A question about gromacs and gamess-uk   Pradip Kumar Biswas
• [gmx-users] 3.3mannual   Dallas B. Warren
• [gmx-users] Building Polymer in PBC   Dallas B. Warren
• [gmx-users] Continuum solvent   Ashutosh Jogalekar
  • [gmx-users] Continuum solvent   Tom Joseph
• [gmx-users] the dipole correlation function of SPC/E water   Tanping Li
  • [gmx-users] the dipole correlation function of SPC/E water   David van der Spoel
    • [gmx-users] the dipole correlation function of SPC/E water   Tanping Li
      • [gmx-users] the dipole correlation function of SPC/E water   David van der Spoel
• [gmx-users] structural factor with g_rdf   Luciano Costa
• [gmx-users] AMBER-GROMACS conversion   vincenzo venditti
  • [gmx-users] AMBER-GROMACS conversion   Florian Haberl
• [gmx-users] structural factor with g_rdf   Dallas B. Warren
• [gmx-users] PCA eigenvalue normalization   Tyler Luchko
  • [gmx-users] PCA eigenvalue normalization   Tsjerk Wassenaar
  • [gmx-users] PCA eigenvalue normalization   paloureiro at biof.ufrj.br
• [gmx-users] compile problem   Rongliang Wu
  • [gmx-users] compile problem   Florian Haberl
    • [gmx-users] compile problem   Mark Abraham
• [gmx-users] pdb2gmx(ver3.3) contain bug?   Tomoshi Kameda
  • [gmx-users] pdb2gmx(ver3.3) contain bug?   David van der Spoel
  • [gmx-users] Re: pdb2gmx(ver3.3) contain bug?   Tomoshi Kameda
• R: [gmx-users] Gromacs 3.3 manual   STEVENAZZI ANDREA
  • [gmx-users] pbc doubt   Adriana Pietropaolo
• [gmx-users] diheadral PCA method   Mu Yuguang (Dr)
• [gmx-users] Handling of charge and mass fields in topology file produced by x2top   Steven Kirk
• [gmx-users] boundary conditions   Super Sayan
• [gmx-users] Re: structure factor   Luciano Costa
• [gmx-users] FEP and position restraints   P
  • [gmx-users] FEP and position restraints   Berk Hess
    • [gmx-users] FEP and position restraints   P
• [gmx-users] seperating bilayers (again)   Alan Dodd
  • [gmx-users] seperating bilayers (again)   Mark Abraham
    • [gmx-users] seperating bilayers (again)   Alan Dodd
  • [gmx-users] seperating bilayers (again)   Eric Jakobsson
    • [gmx-users] seperating bilayers (again)   Alan Dodd
• [gmx-users] pulling distortion   Soren Enemark
• [gmx-users] missing residues   Jayant James Jayasundar
  • [gmx-users] missing residues   nunolf at ci.uc.pt
  • [gmx-users] missing residues   Raymond C. Fort Jr.
  • [gmx-users] missing residues   Tom Joseph
• [gmx-users] Handling protein chain breaks   joao at lnls.br
  • [gmx-users] Handling protein chain breaks   David Mobley
  • [gmx-users] Handling protein chain breaks   Mark Abraham
• [gmx-users] Gromacs 3.3.1 released   Erik Lindahl
  • [gmx-users] Gromacs 3.3.1 released   Mark Abraham
    • [gmx-users] Gromacs 3.3.1 released   Erik Lindahl
• [gmx-users] Re: PCA eigenvalue normalization   Tyler Luchko
  • [gmx-users] Re: PCA eigenvalue normalization   Tsjerk Wassenaar
• [gmx-users] Manual 3.3 and online docs ready too...   Erik Lindahl
  • [gmx-users] Manual 3.3 and online docs ready too...   Adriana Pietropaolo
    • [gmx-users] gromacs3.3.1 compilation error in SGI   raja
      • [gmx-users] gromacs3.3.1 compilation error in SGI   Erik Lindahl
      • [gmx-users] gromacs3.3.1 compilation error in SGI   David van der Spoel
      • [gmx-users] gromacs3.3.1 compilation error in SGI   raja
      • [gmx-users] gromacs3.3.1 compilation error in SGI   Erik Lindahl
      • [gmx-users] gromacs3.3.1 compilation error in SGI   raja
      • [gmx-users] gromacs3.3.1 compilation error in SGI   Erik Lindahl
      • [gmx-users] gromacs3.3.1 compilation error in SGI   raja
      • [gmx-users] gromacs3.3.1 compilation error in SGI   Erik Lindahl
      • [gmx-users] gromacs3.3.1 compilation error in SGI   raja
      • [gmx-users] gromacs3.3.1 compilation error in SGI   Erik Lindahl
• [gmx-users] boundary conditions   Dallas B. Warren
• [gmx-users] Energy constraints and belly dynamics   Shankar Prasad Kanaujia
  • [gmx-users] Energy constraints and belly dynamics   Mark Abraham
• [gmx-users] grompp error   Rongliang Wu
• [gmx-users] still compilation problem   Rongliang Wu
  • [gmx-users] still compilation problem   Mark Abraham
• [gmx-users] How to constrain distance between molecules   Soren Enemark
• [gmx-users] (error in grompp_d)   jahanshah ashkani
  • [gmx-users] (error in grompp_d)   Alan Dodd
    • [gmx-users] (error in grompp_d)   jahanshah ashkani
      • [gmx-users] (error in grompp_d)   Alan Dodd
  • [gmx-users] (error in grompp_d)   Yang Ye
    • [gmx-users] (error in grompp_d)   jahanshah ashkani
• [gmx-users] Re: PCA eigenvalue normalization   Tyler Luchko
  • [gmx-users] Re: PCA eigenvalue normalization   Tsjerk Wassenaar
• [gmx-users] .top file format   Ashutosh Jogalekar
  • [gmx-users] .top file format   Mark Abraham
  • [gmx-users] .top file format   David van der Spoel
• [gmx-users] error while installing rpm for Ver : gromacs-3.3.1-1 :   ritwik kavathekar
  • [gmx-users] error while installing rpm for Ver : gromacs-3.3.1-1 :   David van der Spoel
    • [gmx-users] error while installing rpm for Ver : gromacs-3.3.1-1 :   Erik Lindahl
      • [gmx-users] measure of radius of cytochrome c   Taeho Kim
      • [gmx-users] measure of radius of cytochrome c   Serge Yefimov
      • [gmx-users] measure of radius of cytochrome c   David van der Spoel
      • [gmx-users] measure of radius of cytochrome c   Mark Abraham
• [gmx-users] Re: (A problem with GROMACS)   Marc Baaden
• [gmx-users] Gradient electric field in GMX?   Yinghong
  • [gmx-users] Gradient electric field in GMX?   David van der Spoel
• [gmx-users] grompp error   Rongliang Wu
  • [gmx-users] grompp error   David van der Spoel
• [gmx-users] how to do simulation at high temperature   Dongsheng Zhang
  • [gmx-users] how to do simulation at high temperature   David van der Spoel
  • [gmx-users] how to do simulation at high temperature   Nguyen Hoang Phuong
    • [gmx-users] how to do simulation at high temperature   David van der Spoel
      • [gmx-users] how to do simulation at high temperature   Nguyen Hoang Phuong
      • [gmx-users] how to do simulation at high temperature   David van der Spoel
• [gmx-users] Gradient electric field in GMX?   Yinghong
  • [gmx-users] Gradient electric field in GMX?   David van der Spoel
• [gmx-users] grompp error   Rongliang Wu
• [gmx-users] RE: Structure factor and g_rdf   Luciano Costa
• [gmx-users] hi   santosh naik
  • [gmx-users] hi   Nguyen Hoang Phuong
• [gmx-users] (no subject)   caterina merla
  • [gmx-users] (no subject)   David van der Spoel
• [gmx-users] (no subject)   caterina merla
• [gmx-users] Re: Problems with x2top   David van der Spoel
• [gmx-users] genion in gromacs 3.3.1   Miguel Ortiz Lombardia
  • [gmx-users] genion in gromacs 3.3.1   David van der Spoel
    • [gmx-users] genion in gromacs 3.3.1   Miguel Ortiz Lombardia
• [gmx-users] dumping energies   Ryan Day
  • [gmx-users] dumping energies   Jochen Hub
• [gmx-users] Local electric field after enerygrp_exl   Yinghong
  • [gmx-users] Local electric field after enerygrp_exl   Yang Ye
• [gmx-users] g_dielectric error   paolo marracino
• [gmx-users] Re: NS in PME   Janne Hirvi
  • [gmx-users] Re: NS in PME   David van der Spoel
  • [gmx-users] Re: NS in PME   David Mobley
• [gmx-users] replica exchange doubt   Andrea Carotti
  • [gmx-users] replica exchange doubt   Xavier Periole
    • [gmx-users] replica exchange doubt   Andrea Carotti
      • [gmx-users] replica exchange doubt   Andrea Carotti
      • [gmx-users] replica exchange doubt   David van der Spoel
  • [gmx-users] replica exchange doubt   Berk Hess
• [gmx-users] inter molecular distance restraints?   syma
  • [gmx-users] inter molecular distance restraints?   Mark Abraham
    • [gmx-users] inter molecular distance restraints?   Tsjerk Wassenaar
    • [gmx-users] inter molecular distance restraints?   syma
      • [gmx-users] inter molecular distance restraints?   Mark Abraham
  • [gmx-users] inter molecular distance restraints?   David Mobley
• [gmx-users] g_potential problem   Yinghong
• [gmx-users] modifying replica exchange   Dongsheng Zhang
• [gmx-users] Re: problems with x2top   Steven Kirk
• [gmx-users] Minimize energy of holoprotein   Zorzan Simone
• [gmx-users] Orientation restraints   Bob Johnson
  • [gmx-users] Orientation restraints   Miguel Ortiz-Lombardia
  • [gmx-users] Orientation restraints   Mark Abraham
• [gmx-users] MD run error   Kushal Seth
  • [gmx-users] MD run error   cesar
  • [gmx-users] MD run error   Mark Abraham
    • [gmx-users] MD run error   Kushal Seth
• [gmx-users] configure: error: conditional "am__fastdepCXX" was never defined.   Vanessa Oklejas
  • [gmx-users] configure: error: conditional "am__fastdepCXX" was never defined.   Florian Haberl
    • [gmx-users] configure: error: conditional "am__fastdepCXX" was never defined.   Erik Lindahl
• [gmx-users] problem while running grompp Pocition restrined dynamics   santosh naik
  • [gmx-users] problem while running grompp Pocition restrined dynamics   Florian Haberl
  • [gmx-users] problem while running grompp Pocition restrined dynamics   Mark Abraham
    • [gmx-users] Re: problem while running grompp Pocition restrined dynamics   santosh naik
  • [gmx-users] problem while running grompp Pocition restrined dynamics   X.Periole
    • [gmx-users] Re: problem while running grompp Pocition restrined dynamics   santosh naik
      • [gmx-users] Re: problem while running grompp Pocition restrined dynamics   santosh naik
      • [gmx-users] Re: problem while running grompp Pocition restrined dynamics   Yang Ye
• [gmx-users] problem while running grompp Pocition restrined dynamics   santosh naik
• [gmx-users] MSD and self diffusion   Roman Holomb
  • [gmx-users] MSD and self diffusion   Alexandre Suman de Araujo
  • [gmx-users] MSD and self diffusion   Tsjerk Wassenaar
• [gmx-users] Using Pull code with Coarse grain model   Mohan Boggara
  • [gmx-users] Using Pull code with Coarse grain model   David van der Spoel
• [gmx-users] Using Pull code with Coarse grain model   Dallas B. Warren
• [gmx-users] (error in MD run)   jahanshah ashkani
• [gmx-users] REMD   Dongsheng Zhang
  • [gmx-users] REMD   Mark Abraham
    • [gmx-users] REMD   Dongsheng Zhang
      • [gmx-users] REMD   David van der Spoel
      • [gmx-users] REMD   Dongsheng Zhang
      • [gmx-users] REMD   Dongsheng Zhang
      • [gmx-users] REMD   David van der Spoel
      • [gmx-users] REMD   Dongsheng Zhang
• [gmx-users] Re: Can you help me?   Anton Feenstra
• [gmx-users] MSD   Roman Holomb
  • [gmx-users] MSD   Alexandre Suman de Araujo
  • [gmx-users] MSD   David van der Spoel
• [gmx-users] covariance matrix   yoshizawa006 at yahoo.co.jp
  • [gmx-users] covariance matrix   Tsjerk Wassenaar
• [gmx-users] Re: covariance matrix   yoshizawa006 at yahoo.co.jp
• [gmx-users] Does mdrun know when other gromacs programs move its destination .xtc?   chris.neale at utoronto.ca
  • [gmx-users] Does mdrun know when other gromacs programs move its destination .xtc?   Mark Abraham
• [gmx-users] re: Does mdrun know when other gromacs programs move its destination .xtc?   chris.neale at utoronto.ca
• [gmx-users] Radial distance restraints   Bob Johnson
  • [gmx-users] Radial distance restraints   David van der Spoel
• [gmx-users] Re: Using Pull code with Coarse grain model   Mohan Boggara
• [gmx-users] compiling gromacs with cygwin   Vanessa Oklejas
  • [gmx-users] compiling gromacs with cygwin   MAKOTO ISHIKAWA
  • [gmx-users] compiling gromacs with cygwin   David Mobley
  • [gmx-users] compiling gromacs with cygwin   Yang Ye
• [gmx-users] dihedral constrain   lmao
  • [gmx-users] dihedral constrain   Mark Abraham
• [gmx-users] position restraints   Rongliang Wu
  • [gmx-users] position restraints   Yang Ye
• [gmx-users] error while running Energy minimisatio mdrun   santosh naik
  • [gmx-users] error while running Energy minimisatio mdrun   wei-xin xu
• [gmx-users] grompp error on nanotube   jackyxh at 163.com
  • [gmx-users] grompp error on nanotube   Yang Ye
• [gmx-users] Reg LAM version to use   raja
  • [gmx-users] Reg LAM version to use   Yang Ye
    • [gmx-users] Reg LAM version to use   raja
      • [gmx-users] Reg LAM version to use   Yang Ye
      • [gmx-users] Reg LAM version to use   raja
      • [gmx-users] Reg LAM version to use   Yang Ye
• [gmx-users] problems during make : undefined reference to `__ctype_b'   Vanessa Oklejas
  • [gmx-users] problems during make : undefined reference to `__ctype_b'   David van der Spoel
• [gmx-users] question about implicit solvent MD simulation   Linchen Gong
  • [gmx-users] question about implicit solvent MD simulation   Mark Abraham
• [gmx-users] more x2top troubles   Steven Kirk
  • [gmx-users] more x2top troubles   David van der Spoel
• [gmx-users] tpbconv inexact restart due to nstxout!=nstenergy?   chris.neale at utoronto.ca
• [gmx-users] Problems installing gromacs in a different directory   Eduardo Martins Lopes
  • [gmx-users] Problems installing gromacs in a different directory   David van der Spoel
• [gmx-users] questions about implicit solvent simulation   Linchen Gong
  • [gmx-users] questions about implicit solvent simulation   X.Periole
• [gmx-users] LINCS Warning with MDRUN - Segmentation Fault   Gaurav Chopra
  • [gmx-users] LINCS Warning with MDRUN - Segmentation Fault   David van der Spoel
  • [gmx-users] LINCS Warning with MDRUN - Segmentation Fault   X.Periole
• [gmx-users] question on g_cluster   Osman Yogurtcu
  • [gmx-users] question on g_cluster   David van der Spoel
• [gmx-users] Energy Minimization Problem   Robson P. S. Peguin
  • [gmx-users] Energy Minimization Problem   David van der Spoel
  • [gmx-users] Energy Minimization Problem   X.Periole
• [gmx-users] Re: questions about implicit solvent simulation   Mohan Boggara
• [gmx-users] Implementing Radial Distance Constraints   Bob Johnson
  • [gmx-users] Implementing Radial Distance Constraints   David van der Spoel
• [gmx-users] GROMACS 3.3.1 installation on SGI (Irix)   Akshay Patny
  • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix)   Sabuj Pattanayek
  • [gmx-users] Building a peptide   Arneh Babakhani
    • [gmx-users] Building a peptide   David van der Spoel
  • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix)   Erik Lindahl
• [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 2   Akshay Patny
  • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 2   David van der Spoel
    • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3   Akshay Patny
      • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3   Yang Ye
      • [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3   Akshay Patny
• [gmx-users] Re: Implementing Radial Distance Constraints   Bob Johnson
  • [gmx-users] Meaning of cut-off   Taeho Kim
    • [gmx-users] Meaning of cut-off   Mark Abraham
      • [gmx-users] Meaning of cut-off   日産化学　石川誠
  • [gmx-users] Re: Implementing Radial Distance Constraints   Mark Abraham
    • [gmx-users] comm-mode = Angular   Naser, Md Abu
      • [gmx-users] comm-mode = Angular   David van der Spoel
      • [gmx-users] comm-mode = Angular   Naser, Md Abu
      • [gmx-users] comm-mode = Angular   Tsjerk Wassenaar
      • [gmx-users] comm-mode = Angular   Naser, Md Abu
      • [gmx-users] comm-mode = Angular   Tsjerk Wassenaar
      • [gmx-users] comm-mode = Angular   Jochen Hub
• [gmx-users] XT3 porting   Shawn T. Brown
  • [gmx-users] XT3 porting   Tom Joseph
    • [gmx-users] XT3 porting   David van der Spoel
  • [gmx-users] XT3 porting   David van der Spoel
• [gmx-users] Problems with AFM pulling   lvcp
• [gmx-users] Problems with AFM pulling   Mark Abraham
• [gmx-users] bug in pdb2gmx 3.3   David van der Spoel
• [gmx-users] atoms in .top and .gro dont match   arunima singh
  • [gmx-users] atoms in .top and .gro dont match   Mark Abraham
• [gmx-users] HOWTO for installing non-MPI gromacs-3.3.1 on cygwin   Mark Abraham
  • [gmx-users] HOWTO for installing non-MPI gromacs-3.3.1 on cygwin   Erik Lindahl
• [gmx-users] trjcat -settime option   m-hatake at jaist.ac.jp
  • [gmx-users] trjcat -settime option   m-hatake at jaist.ac.jp
    • [gmx-users] trjcat -settime option   David van der Spoel
    • [gmx-users] trjcat -settime option   Yang Ye
      • [gmx-users] trjcat -settime option   m-hatake at jaist.ac.jp
      • [gmx-users] trjcat -settime option   Anton Feenstra
• [gmx-users] pdb2gmx error   Rongliang Wu
• [gmx-users] FFTW installation error: cannot compile a simple Fortran program   Ge Sunny
  • [gmx-users] FFTW installation error: cannot compile a simple Fortran program   Florian Haberl
    • [gmx-users] FFTW installation error: cannot compile a simple Fortran program   Mark Abraham
• [gmx-users] Paralellization limit?   Andrea Carotti
  • [gmx-users] Paralellization limit?   Carsten Kutzner
    • [gmx-users] Paralellization limit?   Andrea Carotti
      • [gmx-users] Paralellization limit?   Carsten Kutzner
• [gmx-users] FFTW installation error: cannot compile a simple Fortran program   Ge Sunny
  • [gmx-users] FFTW installation error: cannot compile a simpleFortran program   Ge Sunny
    • [gmx-users] FFTW installation error: cannot compile a simpleFortran program   Florian Haberl
      • [gmx-users] FFTW installation error: cannot compile asimpleFortran program   Ge Sunny
      • [gmx-users] FFTW installation error: cannot compile asimpleFortran program   Erik Lindahl
      • [gmx-users] FFTW installation error: cannot compile asimpleFortran program   Jones de Andrade
      • [gmx-users] FFTW installation error: cannot compile asimpleFortran program   Florian Haberl
  • [gmx-users] FFTW installation error: cannot compile a simple Fortran program   Mark Abraham
• [gmx-users] Re: LINCS Warning with MDRUN - Segmentation Fault (Gaurav Chopra)   Gaurav Chopra
• [gmx-users] trjcat -settime option   m-hatake at jaist.ac.jp
• [gmx-users] Drug Enzyme Tutorial - mdrun segmentation fault   Zorzan Simone
  • [gmx-users] Drug Enzyme Tutorial - mdrun segmentation fault   Tom Joseph
    • [gmx-users] Drug Enzyme Tutorial - mdrun segmentation fault   Zorzan Simone
• [gmx-users] g_sdf for Gromacs 3.3 or any other tool for Spatial Distributions .   Maxim Fedorov
• [gmx-users] Huge fluctuations for pressure coupling   Bob Johnson
  • [gmx-users] Huge fluctuations for pressure coupling   David van der Spoel
• [gmx-users] OPLS modification between 3.3 and 3.3.1??   chris.neale at utoronto.ca
  • [gmx-users] OPLS modification between 3.3 and 3.3.1??   Erik Lindahl
  • [gmx-users] OPLS modification between 3.3 and 3.3.1??   Mark Abraham
• [gmx-users] Please Help: Still facing problems with installing Gromacs 3.3.1 on SGI Irix   Akshay Patny
  • [gmx-users] Please Help: Still facing problems with installing Gromacs 3.3.1 on SGI Irix   Patrick Fuchs
• [gmx-users] Unnatural amino acid problems   Ashutosh Jogalekar
  • [gmx-users] Unnatural amino acid problems   Mark Abraham
    • [gmx-users] Unnatural amino acid problems   Ashutosh Jogalekar
• [gmx-users] Installation Error on an Athlon64 with Intel Compiler   Jones de Andrade
  • [gmx-users] Installation Error on an Athlon64 with Intel Compiler   Yang Ye
    • [gmx-users] Installation Error on an Athlon64 with Intel Compiler   Jones de Andrade
• [gmx-users] LINCS Warning with MDRUN - Segmentation Fault   Gaurav Chopra
• [gmx-users] Doubt in Distance Restraints   raja
  • [gmx-users] Doubt in Distance Restraints   Tsjerk Wassenaar
    • [gmx-users] Doubt in Distance Restraints   raja
      • [gmx-users] Doubt in Distance Restraints   Tsjerk Wassenaar
  • [gmx-users] Doubt in Distance Restraints   Uwe Richter
• [gmx-users] NS in PME   Janne Hirvi
• [gmx-users] REMD   jahanshah ashkani
  • [gmx-users] REMD   David van der Spoel
  • [gmx-users] REMD   Mark Abraham
• [gmx-users] Parralel Gromacs   N.Goga
• [gmx-users] Re: Parralel Gromacs   N.Goga
• [gmx-users] OPLS modification between 3.3 and 3.3.1??   chris.neale at utoronto.ca
• [gmx-users] Normal Mode SIGSEGV error   arunima singh
• [gmx-users] Subject: Interfacial System - Topology file   Robson P. S. Peguin
  • [gmx-users] Fixed Atoms minimization and MD   Arneh Babakhani
    • [gmx-users] Fixed Atoms minimization and MD   David van der Spoel
• [gmx-users] g_hbond lifetime output   Michael Torrice
  • [gmx-users] g_hbond lifetime output   David van der Spoel
• [gmx-users] Gromacs 3.3.1 MPI/Itanium 2 fails to build   mernst at tricity.wsu.edu
  • [gmx-users] Gromacs 3.3.1 MPI/Itanium 2 fails to build   Stéphane Teletchéa
• [gmx-users] failing to constraint distance   Soren Enemark
• [gmx-users] Simulating a substrate   Bob Johnson
  • [gmx-users] Simulating a substrate   David van der Spoel
• [gmx-users] Installing GROMACS 3.2.1 on SGI IRIX Origin   Akshay Patny
• [gmx-users] ions in solvent   Beniamino Sciacca
  • [gmx-users] ions in solvent   Tsjerk Wassenaar
  • [gmx-users] ions in solvent   Ran Friedman
• [gmx-users] Droplet vs. vesicle vs. big periodic box vs. implicit solvent   Steven Kirk
• [gmx-users] Rgmax for single atom-water distributions   Егоров Д.А.
• [gmx-users] tpr file   Dhananjay
  • [gmx-users] tpr file   Tsjerk Wassenaar
  • [gmx-users] tpr file   David van der Spoel
• [gmx-users] PGI compilation error: --rpath problem?   Jones de Andrade
  • [gmx-users] PGI compilation error: --rpath problem?   David van der Spoel
    • [gmx-users] PGI compilation error: --rpath problem?   Jones de Andrade
      • [gmx-users] PGI compilation error: --rpath problem?   David van der Spoel
      • [gmx-users] Re: PGI compilation error: --rpath problem?   Jones de Andrade
      • [gmx-users] PGI compilation error: --rpath problem?   Jones de Andrade
• [gmx-users] Problem in installing MPI version of Gromacs-3.3   Shankar Prasad Kanaujia
• [gmx-users] How to view and analysis the result trajectory of g_covar?   Shanjie Huang
  • [gmx-users] How to view and analysis the result trajectory of g_covar?   Tsjerk Wassenaar
• [gmx-users] Problem in installing MPI version of Gromacs-3.3B   Shankar Prasad Kanaujia
  • [gmx-users] Problem in installing MPI version of Gromacs-3.3B   David van der Spoel
  • [gmx-users] Problem in installing MPI version of Gromacs-3.3B   Stéphane Teletchéa
    • [gmx-users] Problem in installing MPI version of Gromacs-3.3B   David van der Spoel
• [gmx-users] Coul-LR   pascal.baillod at epfl.ch
• [gmx-users] Imaging in PBC simulations   Martin LEPSIK
  • [gmx-users] Imaging in PBC simulations   Tamas Horvath
  • [gmx-users] Imaging in PBC simulations   Jochen Hub
    • [gmx-users] Imaging in PBC simulations -summary   Martin LEPSIK
  • [gmx-users] Imaging in PBC simulations   Jochen Hub
• [gmx-users] LINCS deviation   Ashutosh Jogalekar
  • [gmx-users] LINCS deviation   Alan Dodd
  • [gmx-users] LINCS deviation   Florian Haberl
• [gmx-users] Gromacs 3.3.1 MPI/Itanium 2 fails to build   mernst at tricity.wsu.edu
  • [gmx-users] Gromacs 3.3.1 MPI/Itanium 2 fails to build   Erik Lindahl
• [gmx-users] Selecting Nodes While Running Parallel Mdrun   Shankar Prasad Kanaujia
  • [gmx-users] Selecting Nodes While Running Parallel Mdrun   Florian Haberl
    • [gmx-users] Selecting Nodes While Running Parallel Mdrun   Erik Lindahl
  • [gmx-users] Selecting Nodes While Running Parallel Mdrun   cesar
    • [gmx-users] parallel gromacs   bruning at mpghdb.desy.de
      • [gmx-users] parallel gromacs   Shawn T. Brown
      • [gmx-users] parallel gromacs   Erik Lindahl
      • [gmx-users] parallel gromacs   Tom Joseph
• [gmx-users] System equilibration and interaction energy   aloks at mbu.iisc.ernet.in
• [gmx-users] System equilibration and interaction energy   aloks at mbu.iisc.ernet.in
  • [gmx-users] System equilibration and interaction energy   Mark Abraham
• [gmx-users] Gromacs on the DEC in parallel giving Floating Exceptions   Shawn T. Brown
• [gmx-users] ffG43a2 and vdw   Joanne Hanna
  • [gmx-users] ffG43a2 and vdw   syma
  • [gmx-users] ffG43a2 and vdw   Mark Abraham
• [gmx-users] Chain merging problem (pdb2gmx)   Ashutosh Jogalekar
  • [gmx-users] Chain merging problem (pdb2gmx)   Florian Haberl
• [gmx-users] EM comparison   Kushal Seth
  • [gmx-users] EM comparison   Mark Abraham
• [gmx-users] Gromacs-3.3.1 installation   Akshay Patny
  • [gmx-users] Gromacs-3.3.1 installation   Mark Abraham
• [gmx-users] Gromacs-3.3.1 installation   Akshay Patny
  • [gmx-users] Gromacs-3.3.1 installation   Rene Meier
    • [gmx-users] Gromacs-3.3.1 installation   Akshay Patny
      • [gmx-users] Gromacs-3.3.1 installation   Mark Abraham
      • [gmx-users] LINCS Error in Gromacs-3.3.1 in pr simulation   raja
  • [gmx-users] Gromacs-3.3.1 installation   Erik Lindahl
  • [gmx-users] Gromacs-3.3.1 installation   Florian Haberl
• [gmx-users] Coul-LR in PME and in Reaction Field   pascal.baillod at epfl.ch
  • [gmx-users] Coul-LR in PME and in Reaction Field   Berk Hess
• [gmx-users] Benching against different compilers - Help needed   Jones de Andrade
  • [gmx-users] Benching against different compilers - Help needed   David van der Spoel
    • [gmx-users] Benching against different compilers - Help needed   Jones de Andrade
      • [gmx-users] Benching against different compilers - Help needed   David van der Spoel
      • [gmx-users] Benching against different compilers - Help needed   Jones de Andrade
      • [gmx-users] Benching against different compilers - Help needed   David van der Spoel
• [gmx-users] afm pulling   Marta Murcia
• [gmx-users] gromacs installation on True64 Unix system   Lei Zhou
• [gmx-users] 3.3.1 installation on True64 Unix system   Lei Zhou
  • [gmx-users] 3.3.1 installation on True64 Unix system   David van der Spoel
    • [gmx-users] 3.3.1 installation on True64 Unix system   Lei Zhou
• [gmx-users] afm pulling   Emily Walton
  • [gmx-users] afm pulling   Marta Murcia
• [gmx-users] Mix solvent   Mahnam
  • [gmx-users] Mix solvent   Mark Abraham
    • [gmx-users] Mix solvent   Erik Marklund
      • [gmx-users] Re: Mix solvent   Jones de Andrade
      • [gmx-users] Re: Mix solvent   Mark Abraham
      • [gmx-users] Re: Mix solvent   Jones de Andrade
• [gmx-users] do_dssp error   jahanshah ashkani
  • [gmx-users] do_dssp error   Miguel Ortiz Lombardia
    • [gmx-users] do_dssp error   jahanshah ashkani
      • [gmx-users] do_dssp error   Miguel Ortiz Lombardia
      • [gmx-users] do_dssp error   Guillem Plasencia
  • [gmx-users] do_dssp error   Mark Abraham
  • [gmx-users] do_dssp error   Tsjerk Wassenaar
• [gmx-users] Can not open file: topol.tpr   Guillem Plasencia
  • [gmx-users] Can not open file: topol.tpr   Jochen Hub
    • [gmx-users] Re: Can not open file: topol.tpr   Guillem Plasencia
      • [gmx-users] Re: Can not open file: topol.tpr   Serge Yefimov
      • [gmx-users] Re: Can not open file: topol.tpr   Jochen Hub
• [gmx-users] afm pulling   Emily Walton
  • [gmx-users] afm pulling   Marta Murcia
• [gmx-users] Mix solvent   Manohar Murthi
  • [gmx-users] Mix solvent   David van der Spoel
• [gmx-users] Change default "nice" option for mdrun (was: Can not find file: topol.tpr)   Guillem Plasencia
• [gmx-users] aromatic hydrogens   Joanne Hanna
• [gmx-users] RE: Coul-LR in PME and in Reaction Field   pascal.baillod at epfl.ch
  • [gmx-users] RE: Coul-LR in PME and in Reaction Field   Berk Hess
• [gmx-users] topol.tpr made for 2 nodes while mdrun expected 8   Guillem Plasencia
  • [gmx-users] topol.tpr made for 2 nodes while mdrun expected 8   Stéphane Téletchéa
• [gmx-users] problem in normal mode analysis   arunima singh
• [gmx-users] Simulations to corroborate FRET data   Jayant James Jayasundar
• [gmx-users] using ffgmx force field   Mohan Boggara
• [gmx-users] Change default "nice" option for mdrun (was: Can not find file: topol.tpr)   Dallas B. Warren
  • [gmx-users] Change default "nice" option for mdrun (was: Can notfind file: topol.tpr)   Guillem Plasencia
• [gmx-users] using ffgmx force field   Dallas B. Warren
• [gmx-users] System equilibration and interaction energy   Mark Abraham
  • [gmx-users] Insight for my EM output analysis   raja
• [gmx-users] problem with ffamber94bon.itp   Adriana Pietropaolo
  • [gmx-users] problem with ffamber94bon.itp   Tomas Kubar
    • [gmx-users] problem with ffamber94bon.itp   Erik Lindahl
      • [gmx-users] problem with ffamber94bon.itp   Adriana Pietropaolo
• [gmx-users] freeze water   Anthony Cruz
  • [gmx-users] freeze water   David van der Spoel
• [gmx-users] segmentation fault in mdrun when using PME   Diane Fournier
  • [gmx-users] segmentation fault in mdrun when using PME   David van der Spoel
• [gmx-users] conformation search   Rongliang Wu
  • [gmx-users] conformation search   X.Periole
• [gmx-users] How to make the missing atom by PRODRG   raja
  • [gmx-users] How to make the missing atom by PRODRG   X.Periole
• [gmx-users] Relatively orient two molecules: rotation and/or translation   Tandia, Adama
  • [gmx-users] Relatively orient two molecules: rotation and/ortranslation   X.Periole
• [gmx-users] Dielectric constant during energy calculation   bharat v. adkar
  • [gmx-users] Dielectric constant during energy calculation   David van der Spoel
• [gmx-users] after g_morph, how to calculate energies?   Rongliang Wu
  • [gmx-users] after g_morph, how to calculate energies?   Mark Abraham
    • [gmx-users] after g_morph, how to calculate energies?   David van der Spoel
• [gmx-users] umbrella search and ffscan, how?   Rongliang Wu
  • [gmx-users] umbrella search and ffscan, how?   David van der Spoel

Last message date: Sun Apr 30 22:35:51 CEST 2006
Archived on: Thu Nov 14 12:02:50 CET 2013

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