June 2004 Archives by thread

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Starting: Tue Jun 1 02:48:47 CEST 2004
Ending: Wed Jun 30 19:53:00 CEST 2004
Messages: 469

• [gmx-users] Truncated Octahedron Box   Chng Choon Peng
• [gmx-users] read compressed files   Nguyen Hoang Phuong
• [gmx-users] Dihedral angles   David Cerutti
• [gmx-users] time step vs system   Nuno R. L. Ferreira
  • [gmx-users] time step vs system   Xavier Periole
    • [gmx-users] time step vs system   Nuno R. L. Ferreira
      • [gmx-users] time step vs system   David van der Spoel
• [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
  • [gmx-users] Restart dmpc membrane   Nuno R. L. Ferreira
    • [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
  • [gmx-users] Restart dmpc membrane   David van der Spoel
    • [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
      • [gmx-users] Restart dmpc membrane   Nuno R. L. Ferreira
      • [gmx-users] Restart dmpc membrane   Nuno R. L. Ferreira
      • [gmx-users] problem with genconf   Albert Sun
      • [gmx-users] re: Using table and Buckingham potential simultaneously   Pavan K. Naicker
      • [gmx-users] re: Using table and Buckingham potential simultaneously   David
      • [gmx-users] PRODRG question   Peter Zoon
      • [gmx-users] PRODRG question   Daan van Aalten
      • [gmx-users] problem with genconf   Albert Sun
      • [gmx-users] problem with genconf   David
      • [gmx-users] problem with genconf   Albert Sun
      • [gmx-users] problem with genconf   David
      • [gmx-users] Restart dmpc membrane   Nuno R. L. Ferreira
      • [gmx-users] Restart dmpc membrane   David van der Spoel
      • [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
      • [gmx-users] Restart dmpc membrane   David van der Spoel
      • [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
      • [gmx-users] Restart dmpc membrane   Xavier Periole
      • [gmx-users] Restart dmpc membrane   David van der Spoel
      • [gmx-users] Restart dmpc membrane   Carl-Johan Högberg
      • [gmx-users] Restart dmpc membrane   David van der Spoel
  • [gmx-users] Restart dmpc membrane   Kay Gottschalk
• [gmx-users] symmetric restrains   lgan at smail.uni-koeln.de
  • [gmx-users] symmetric restrains   David van der Spoel
    • [gmx-users] symmetric restrains   lgan at smail.uni-koeln.de
      • [gmx-users] symmetric restrains   Bert de Groot
• [gmx-users] problem on using g_disre of gmx3.2.1   F.Hao at chem.rug.nl
  • [gmx-users] problem on using g_disre of gmx3.2.1   David
• [gmx-users] Amber 2 gmx   Herbert Georg
  • [gmx-users] Amber 2 gmx   david.evans at ulsop.ac.uk
• [gmx-users] Who uses Gromacs on Power4 ?   Marc Baaden
  • [gmx-users] Who uses Gromacs on Power4 ?   Erik Lindahl
    • [gmx-users] Who uses Gromacs on Power4 ?   Marc Baaden
      • [gmx-users] Who uses Gromacs on Power4 ?   Erik Lindahl
      • [gmx-users] Who uses Gromacs on Power4 ?   Marc Ceruso
      • [gmx-users] Who uses Gromacs on Power4 ?   Marc Baaden
      • [gmx-users] Who uses Gromacs on Power4 ?   David van der Spoel
      • [gmx-users] Who uses Gromacs on Power4 ?   Campbell Millar
      • [gmx-users] Who uses Gromacs on Power4 ?   Peter Zoon
      • [gmx-users] Who uses Gromacs on Power4 ?   Marc Baaden
• [gmx-users] Using both tables and LJ potentials   Pavan K. Naicker
• [gmx-users] Membrane protein tilt.   John Simms
  • [gmx-users] Membrane protein tilt.   Xavier Periole
  • [gmx-users] Membrane protein tilt.   Kay Gottschalk
• [gmx-users] Re: problem on using g_disre of gmx3.2.1   F.Hao at chem.rug.nl
• [gmx-users] Adding 3 body force field term into Gromacs   Tandia, Adama
  • [gmx-users] Adding 3 body force field term into Gromacs   Anton Feenstra
  • [gmx-users] Adding 3 body force field term into Gromacs   Erik Lindahl
• [gmx-users] about interaction energy   Anton Feenstra
• [gmx-users] more questions on g_coar and g_anaeig   Anton Feenstra
• [gmx-users] BKS potential SiO2 again   gmx at 4ka.mipt.ru
  • [gmx-users] BKS potential SiO2 again   Lianqing Zheng
    • [gmx-users] BKS potential SiO2 again   gmx at 4ka.mipt.ru
• [gmx-users] Rotation of Biomolecules   Yinghong
  • [gmx-users] Rotation of Biomolecules   Christopher Tran
    • [gmx-users] Rotation of Biomolecules   Anton Feenstra
• [gmx-users] Trouble editing mdp file   p.keymer at student.qut.edu.au
  • [gmx-users] Trouble editing mdp file   Oliver Lange
• [gmx-users] free energy error   aneamtu at iasi.mednet.ro
• [gmx-users] trjconv via mpirun   Ghermes Chilov
  • [gmx-users] trjconv via mpirun   Erik Lindahl
• [gmx-users] do_dssp   Raghunadha Reddy Burri
  • [gmx-users] do_dssp   David van der Spoel
  • [gmx-users] do_dssp   Lars Schaefer
• [gmx-users] (no subject)   sara pistolesi
  • [gmx-users] (no subject)   Zhen Qin
    • [gmx-users] cg warning   Derrick Guang Yuh Lee
      • [gmx-users] cg warning   Derrick Guang Yuh Lee
      • [gmx-users] cg warning   Nuno R. L. Ferreira
      • [gmx-users] cg warning   Derrick Guang Yuh Lee
      • [gmx-users] cg warning   Nuno R. L. Ferreira
      • [gmx-users] cg warning   Nuno R. L. Ferreira
• [gmx-users] Overwrite output file   Seonah Kim
  • [gmx-users] Overwrite output file   Erik Lindahl
  • [gmx-users] Overwrite output file   David
    • [gmx-users] Overwrite output file   Erik Lindahl
      • [gmx-users] Overwrite output file   Nguyen Hoang Phuong
• [gmx-users] request   Dinesh Pinisetty
  • [gmx-users] request   Oliver Lange
• [gmx-users] hi   Dinesh Pinisetty
• [gmx-users] lots of stuff written to the screen by GROMACS   Nguyen Hoang Phuong
  • [gmx-users] lots of stuff written to the screen by GROMACS   Oliver Lange
• [gmx-users] Free-Energy input   acorrea at unisa.it
• [gmx-users] request   Dinesh Pinisetty
• [gmx-users] init_lambda = 1.00   Raghunadha Reddy Burri
  • [gmx-users] init_lambda = 1.00   Xavier Periole
    • [gmx-users] ngmx cannot be compiled   Andre Farias de Moura
      • [gmx-users] ngmx cannot be compiled   David van der Spoel
    • [gmx-users] init_lambda = 1.00   Raghunadha Reddy Burri
      • [gmx-users] init_lambda = 1.00   Anton Feenstra
      • [gmx-users] init_lambda = 1.00   Alexandre Suman de Araujo
• [gmx-users] request   Dinesh Pinisetty
  • [gmx-users] request   Oliver Lange
• [gmx-users] My system is non-zero charge   Yinghong
  • [gmx-users] My system is non-zero charge   David van der Spoel
• [gmx-users] Re: My system is non-zero charge   Yinghong
  • [gmx-users] Re: My system is non-zero charge   David van der Spoel
• [gmx-users] CPU usage   F Jiang
  • [gmx-users] CPU usage   Lieven Buts
  • [gmx-users] CPU usage   Christopher Tran
    • [gmx-users] CPU usage   Anton Feenstra
• [gmx-users] (no subject)   Dinesh Pinisetty
• [gmx-users] (no subject)   Dinesh Pinisetty
• [gmx-users] request   Dinesh Pinisetty
• [gmx-users] center of mass   Qi Sun
  • [gmx-users] center of mass   Dallas Warren
    • [gmx-users] center of mass   Qi Sun
      • [gmx-users] center of mass   David van der Spoel
• [gmx-users] free energy   Andrei Neamtu
• [gmx-users] Multiple time step   istvan at kolossvary.hu
  • [gmx-users] Multiple time step   Anton Feenstra
• [gmx-users]   Dinesh Pinisetty
  • [gmx-users]   Rainer Boeckmann
    • [gmx-users]   Anton Feenstra
• [gmx-users] liquid?   nicolas Dinter
  • [gmx-users] liquid?   David van der Spoel
• [gmx-users] Re: Question about Gromacs   Anton Feenstra
• [gmx-users] (no subject)   Maarten Wolf
• [gmx-users] liquid?   nicolas Dinter
  • [gmx-users] liquid?   David van der Spoel
    • [gmx-users] liquid?   Lars Schaefer
• [gmx-users] what's wrong with rtp file?   nanyu101 at sina.com
• [gmx-users] pull code   acorrea at unisa.it
• [gmx-users] parameter declaration   herbst at fhi-berlin.mpg.de
  • [gmx-users] parameter declaration   David van der Spoel
• [gmx-users] pull code   Berk Hess
  • [gmx-users] pull code-Thanks   acorrea at unisa.it
• [gmx-users] Adding new topologies to the force field GROMOS87   Tanos
• [gmx-users] A. - Vol. / lipid & associated errors   Nuno R. L. Ferreira
  • [gmx-users] A. - Vol. / lipid & associated errors   Erik Lindahl
    • [gmx-users] A. - Vol. / lipid & associated errors   Nuno R. L. Ferreira
      • [gmx-users] A. - Vol. / lipid & associated errors   Erik Lindahl
      • [gmx-users] A. - Vol. / lipid & associated errors   Nuno R. L. Ferreira
• [gmx-users] normal modes   Claudio Saburo Shida
  • [gmx-users] Help reg. EM   sameer varma
• [gmx-users] problem generating topology file with pdb2gmx   Bamidele Adisa
  • [gmx-users] problem generating topology file with pdb2gmx   David van der Spoel
• [gmx-users] mean life time   parinald at unsl.edu.ar
  • [gmx-users] mean life time   David van der Spoel
• [gmx-users] more CPU usage and LINCS   F Jiang
  • [gmx-users] more CPU usage and LINCS   David van der Spoel
• [gmx-users] Beginner questions   ashish misra
• [gmx-users] NADH topology   Keserű György dr.
  • [gmx-users] NADH topology   Anton Feenstra
• [gmx-users] Re: problem generating topology file with pdb2gmx   badisa at CLEMSON.EDU
• [gmx-users] Power4 : Trying to install...   Pim Schravendijk
• [gmx-users] mpi version   Prasad Gajula
  • [gmx-users] mpi version   David van der Spoel
• [gmx-users] normal node again   Claudio Saburo Shida
• [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   Yuhua Song
  • [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   Nuno R. L. Ferreira
    • [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   Yuhua Song
      • [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   Erik Lindahl
      • [gmx-users] WARNING: could not find a Van der Waals radius for 260 atoms   Yuhua Song
      • [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   sameer varma
      • [gmx-users] area per headgroup for lipid, and volume per lipid - Gromacs   Xavier Periole
• [gmx-users] why    PRODRG  not  add  the  hydrogen  to  the  oxgen  of  the  sulphnate  group?   freda
• [gmx-users] why        PRODRG    not    add  the  oxgen of sulphonate group   freda
• [gmx-users] Implicit solvent   ashish misra
• [gmx-users] Implicit solvent   ashish misra
• [gmx-users] top file question   コウ チ
  • [gmx-users] top file question   David van der Spoel
• [gmx-users] normal node again   Berk Hess
  • [gmx-users] normal node again   Anton Feenstra
• [gmx-users] top file question   コウ チ
• [gmx-users] pdb2gmx   herbst at fhi-berlin.mpg.de
  • [gmx-users] pdb2gmx   Anton Feenstra
  • [gmx-users] pdb2gmx   Dallas Warren
• [gmx-users] Updated benchmarks   David van der Spoel
• [gmx-users] Re: Power4 : Trying to install...   Marc Baaden
  • [gmx-users] Re: Power4 : Trying to install...   Erik Lindahl
• [gmx-users] Sample input files for shell model   Tandia, Adama
  • [gmx-users] Sample input files for shell model   David
• [gmx-users] PRODRG don't add hydrogen to sulphonate?   freda
• [gmx-users] Shell model   Tandia, Adama
  • [gmx-users] Shell model   David
    • [gmx-users] pdb2gmx with ATP   Stud_Psychopharm
• [gmx-users] RE: Sample input files for shell model   Tandia, Adama
  • [gmx-users] RE: Sample input files for shell model   David
• [gmx-users] residues   Dinesh Pinisetty
• [gmx-users] residue   Dinesh Pinisetty
• [gmx-users] residue   Dinesh Pinisetty
• [gmx-users] residue   Dinesh Pinisetty
  • [gmx-users] residue   David
  • [gmx-users] residue   Xavier Periole
    • [gmx-users] residue   Semen Esilevsky
    • [gmx-users] Stepsize too small   Semen Esilevsky
      • [gmx-users] "pressure scaling more than 1%"   Semen Esilevsky
      • [gmx-users] "pressure scaling more than 1%"   Nuno R. L. Ferreira
      • [gmx-users] multiple forcefields   Derrick Guang Yuh Lee
      • [gmx-users] multiple forcefields   Nuno R. L. Ferreira
      • [gmx-users] multiple forcefields   Yiannis
      • [gmx-users] multiple forcefields   Derrick Guang Yuh Lee
      • [gmx-users] multiple forcefields   Derrick Guang Yuh Lee
      • [gmx-users] multiple forcefields   Yiannis
• [gmx-users] mdrun_mpi error   Seonah Kim
  • [gmx-users] mdrun_mpi error   David
• [gmx-users] could not open "temp.top"   adrian at criba.edu.ar
  • [gmx-users] could not open "temp.top"   David
• [gmx-users] could not open temp.top   adrian at criba.edu.ar
• [gmx-users] grompp error   Seonah Kim
  • [gmx-users] grompp error   Erik Lindahl
• [gmx-users] area per headgroup for lipid   Yuhua Song
  • [gmx-users] area per headgroup for lipid   Nuno R. L. Ferreira
    • [gmx-users] area per headgroup for lipid   Yuhua Song
    • [gmx-users] area per headgroup for lipid   Dallas Warren
• [gmx-users] LINCS again   F Jiang
  • [gmx-users] LINCS again   David van der Spoel
• [gmx-users] NADH topology   Keserű György dr.
• [gmx-users] missing parameters   herbst at fhi-berlin.mpg.de
  • [gmx-users] missing parameters   David van der Spoel
    • [gmx-users] missing parameters   herbst at fhi-berlin.mpg.de
      • [gmx-users] missing parameters   David van der Spoel
• [gmx-users] flexible water   Vincent Ballenegger
  • [gmx-users] flexible water   David van der Spoel
• [gmx-users] Re: flexible water   Vincent Ballenegger
  • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
    • [gmx-users] Topology from semiempiricaly optimized structure   Erik Lindahl
      • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
      • [gmx-users] program for calculation of the orientation of lipid head groups   Yuhua Song
      • [gmx-users] program for calculation of the orientation of lipid head groups   Xavier Periole
    • [gmx-users] Topology from semiempiricaly optimized structure   Anton Feenstra
    • [gmx-users] Topology from semiempiricaly optimized structure   Daan van Aalten
      • [gmx-users] Topology from semiempiricaly optimized structure   Erik Lindahl
      • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
      • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
      • [gmx-users] Topology from semiempiricaly optimized structure   Daan van Aalten
      • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
      • [gmx-users] LJ-14 interactions in lipid.itp   Semen Esilevsky
      • [gmx-users] Topology from semiempiricaly optimized structure   Yiannis
      • [gmx-users] Topology from semiempiricaly optimized structure   Daan van Aalten
      • [gmx-users] Topology from semiempiricaly optimized structure   Semen Esilevsky
      • [gmx-users] Topology from semiempiricaly optimized structure   Daan van Aalten
      • [gmx-users] Topology from semiempiricaly optimized structure   David
• [gmx-users] Parallel Problem   Ashish Misra
  • [gmx-users] 1-4 LJ Scaling factor   David Cerutti
    • [gmx-users] 1-4 LJ Scaling factor   David
  • [gmx-users] Parallel Problem   David
  • [gmx-users] simulating films at air-water interface   Andre Farias de Moura
• [gmx-users] RE: PRODRG don't add hydrogen to sulphonate?   Ing. Vojtech Spiwok
• [gmx-users] Re: making index file (old topic)   Pim Schravendijk
  • [gmx-users] Re: making index file (old topic)   Anton Feenstra
• [gmx-users] g_anaeig output   akdemir at few.vu.nl
• [gmx-users] g_anaeig output   Berk Hess
• [gmx-users] Enerpress   nicolas Dinter
  • [gmx-users] Enerpress   David van der Spoel
• [gmx-users] lam -mpi problem   Luciane Vieira de Mello Rigden
• [gmx-users] RE: g_anaeig output   akdemir at few.vu.nl
• [gmx-users] RE: g_anaeig output   Berk Hess
• [gmx-users] (no subject)   SLN Prasad Reddy
  • [gmx-users] (no subject)   David
• [gmx-users] mdrun crashing on Power4/P690+   Fiona Reid
  • [gmx-users] mdrun crashing on Power4/P690+   Campbell Millar
• [gmx-users] (no subject)   SLN Prasad Reddy
• [gmx-users] Ewald sums too slow?   Vincent Ballenegger
  • [gmx-users] Ewald sums too slow?   David
  • [gmx-users] Ewald sums too slow?   Erik Lindahl
• [gmx-users] ligand bond between iron and glutamic acid   Prasad Gajula
  • [gmx-users] ligand bond between iron and glutamic acid   Christopher Tran
• [gmx-users] [Fwd: hi (fwd)]   David
  • [gmx-users] [Fwd: hi (fwd)]   Xavier Periole
    • [gmx-users] em and pr   Derrick Guang Yuh Lee
      • [gmx-users] em and pr   Itamar Kass
• [gmx-users] no subject   nwtria at spymac.com
• [gmx-users] g_anaeig output   akdemir at few.vu.nl
• [gmx-users] Ewald sums too slow?   Vincent Ballenegger
• [gmx-users] g_anaeig output   Berk Hess
• [gmx-users] Is it possible to write topology for sp-hybrid nitrogen ?   =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
  • [gmx-users] Is it possible to write topology for sp-hybrid nitrogen ?   David
    • [gmx-users] Is it possible to write topology for sp-hybridnitrogen ?   =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
• [gmx-users] How to use ambconv package...   Seonah Kim
  • [gmx-users] How to use ambconv package...   Xavier Periole
  • [gmx-users] How to use ambconv package...   david.evans at ulsop.ac.uk
    • [gmx-users] How to use ambconv package...   Tomas Kubar
    • [gmx-users] How to use ambconv package...   Tomas Kubar
      • [gmx-users] How to use ambconv package...   david.evans at ulsop.ac.uk
      • [gmx-users] How to use ambconv package...   Tomas Kubar
      • [gmx-users] How to use ambconv package...   david.evans at ulsop.ac.uk
      • [gmx-users] How to use ambconv package...   Tomas Kubar
      • [gmx-users] How to use ambconv package...   david.evans at ulsop.ac.uk
• [gmx-users] (no subject)   SLN Prasad Reddy
• [gmx-users] adding new atom types to ff???.atp   SLN Prasad Reddy
  • [gmx-users] adding new atom types to ff???.atp   David
    • [gmx-users] XTC format   Stefano Piana
      • [gmx-users] XTC format   David
• [gmx-users] g_chi dihtrans.xvg (output just for chi angle)   Mateusz Nowak
• [gmx-users] ligand bond between iron and glutamic acid (vaccum force field)   prasad
• [gmx-users] energy.edr   Farshid Mostowfi
  • [gmx-users] energy.edr   David
• [gmx-users] Re: g_anaeig output   akdemir at few.vu.nl
• [gmx-users] Dual G5   Damodaran Krishnan
  • [gmx-users] Dual G5   Itamar Kass
• [gmx-users] Re: g_anaeig output   Berk Hess
• [gmx-users] Re: g_anaeig output error   akdemir at few.vu.nl
• [gmx-users] Re: gmx-users Digest, Vol 2, Issue 41   Pim Schravendijk
• [gmx-users] hbonds or h-bonds   Prasad Gajula
  • [gmx-users] hbonds or h-bonds   David
• [gmx-users] mpich - mdrun problem   Rainer Boeckmann
  • [gmx-users] mpich - mdrun problem   Rainer Boeckmann
• [gmx-users] Dppc Benchmark   Seonah Kim
  • [gmx-users] Dppc Benchmark   David
    • [gmx-users] Dppc Benchmark   Andrea Carotti
      • [gmx-users] Dppc Benchmark   David
      • [gmx-users] Dppc Benchmark   Andrea Carotti
      • [gmx-users] Dppc Benchmark   David
      • [gmx-users] Dppc Benchmark   Andrea Carotti
• [gmx-users] mdrun_mpi command   Yinghong
  • [gmx-users] mdrun_mpi command   Xavier Periole
• [gmx-users] g_order -unsat   Samuli Ollila
• [gmx-users] ligand bond between iron and glutamic acid   prasad
• [gmx-users] (no subject)   SLN Prasad Reddy
• Fwd: [gmx-users] em and pr   Itamar Kass
• [gmx-users] Re: mdrun_mpi command [Xavier pls]   Yinghong
  • [gmx-users] Re: mdrun_mpi command [Xavier pls]   David
• [gmx-users] include new residues in the rtp file   Marcela P.Aliste
• [gmx-users] Benchmark   Amy Petrik
• [gmx-users] new residue in the rtp fiels   Marcela P.Aliste
  • [gmx-users] new residue in the rtp fiels   David
• [gmx-users] opls sigma and epsilon units   Pedro Alexandre Lapido Loureiro
  • [gmx-users] opls sigma and epsilon units   David
• [gmx-users] Another dihedral angles question   David Cerutti
  • [gmx-users] Another dihedral angles question   David Cerutti
  • [gmx-users] Another dihedral angles question   David Cerutti
• [gmx-users] New residues in rtp files :-)   Arlan Goncalves
• [gmx-users] Re: new residue in the rtp fiels   Arlan Goncalves
• [gmx-users] CG and constraints   Milan Melichercik
  • [gmx-users] CG and constraints   David
• [gmx-users] Grompp Fatal Error   Seonah Kim
  • [gmx-users] Grompp Fatal Error   Dallas Warren
• [gmx-users] the error in my BD simulation   Hanming
• [gmx-users] How to produce the .top file of the molecule in which the residue has more than one connected points   Hanming
  • [gmx-users] How to produce the .top file of the molecule in which the residue has more than one connected points   David van der Spoel
• [gmx-users] new residue en rtp   Maximiliano Fra Figueroa Yevenes
  • [gmx-users] new residue en rtp   David van der Spoel
• [gmx-users] oscillations in constrain forces   fangel at usc.es
• [gmx-users] Can I use the pdb2gmx to produce the .top file of dendrimers?   Hanming
  • [gmx-users] Can I use the pdb2gmx to produce the .top file of dendrimers?   David van der Spoel
• [gmx-users] g_mindist segmentation fault   Elad P.
• [gmx-users] Re: g_anaeig output   Berk Hess
  • [gmx-users] Re: g_anaeig output   Marc Lensink
• [gmx-users] oscillations in constrain forces   Berk Hess
• [gmx-users] RDF of hydroxyl groups   Magdalena Siwko
• [gmx-users] Can I keep the chirality character when I use the united atom force filed?   Hanming
  • [gmx-users] Can I keep the chirality character when I use the united atom force filed?   Dallas Warren
• [gmx-users] Re: g_anaeig output   Berk Hess
• [gmx-users] Speptide position restraint   Seonah Kim
  • [gmx-users] Speptide position restraint   Christopher Tran
• [gmx-users] PDB2GMX: No Silicon Atoms Found   Gromacs Newbie
  • [gmx-users] PDB2GMX: No Silicon Atoms Found   Ilya Chorny
  • [gmx-users] PDB2GMX: No Silicon Atoms Found   David
  • [gmx-users] PDB2GMX: No Silicon Atoms Found   Christopher Tran
• [gmx-users] FFTW libraries   Dr Seth Carlton OLSEN
  • [gmx-users] FFTW libraries   Chng Choon Peng
• [gmx-users] FFTW libraries   Dr Seth Carlton OLSEN
  • [gmx-users] FFTW libraries   Erik Lindahl
    • [gmx-users] FFTW libraries   Paul van Maaren
• [gmx-users] Re: oscillations in constrain forces   fangel at usc.es
• [gmx-users] Re: oscillations in constrain forces   Berk Hess
• [gmx-users] Dummies in .rtp and topology for sp-hybrid atom   =?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?=
• [gmx-users] adding of Phosphoryl oxgen   SLN Prasad Reddy
  • [gmx-users] adding of Phosphoryl oxgen   Dallas Warren
• [gmx-users] Top file geting erased   SLN Prasad Reddy
  • [gmx-users] Top file geting erased   Nuno R. L. Ferreira
• [gmx-users] Trjconv   Amy Petrik
  • [gmx-users] Trjconv   David
  • [gmx-users] Trjconv   Nuno R. L. Ferreira
• [gmx-users] Are there something different about the input files between SD ans BD?   Hanming
• [gmx-users] rdf   nicolas Dinter
  • [gmx-users] rdf   David van der Spoel
• [gmx-users] my_dssp or your_dssp?   Dr Seth Carlton OLSEN
  • [gmx-users] my_dssp or your_dssp?   Chng Choon Peng
• [gmx-users] rdf   nicolas Dinter
  • [gmx-users] rdf   David van der Spoel
• [gmx-users] OPLS 1-4 interactions & intramolecular contributions to interaction energies ...   Michael Brunsteiner
  • [gmx-users] OPLS 1-4 interactions & intramolecular contributions to interaction energies ...   Erik Lindahl
• [gmx-users] Caution: Bug in g_cluster/gmx_cluster   Roman Affentranger
• [gmx-users] missing atom   herbst at fhi-berlin.mpg.de
  • [gmx-users] missing atom   David van der Spoel
    • [gmx-users] missing atom   herbst at fhi-berlin.mpg.de
• [gmx-users] loop energies   John Simms
  • [gmx-users] loop energies   David van der Spoel
• [gmx-users] OPLS 1-4 interactions & intramolecular contributionsto interaction energies ...   Nagy, Peter I.
  • [gmx-users] Converting united-atom topology to all-atom   Semen Esilevsky
• [gmx-users] solvation problem   Marc Bruning
• [gmx-users] Implicit solvent   Hanming
• [gmx-users] Implicit solvent   Berk Hess
• [gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS   Sichun Yang
  • [gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS   Erik Lindahl
• [gmx-users] GMX and Celeron   Marcos Villarreal
  • [gmx-users] GMX and Celeron   David van der Spoel
• [gmx-users] rdf   nicolas Dinter
  • [gmx-users] rdf   David van der Spoel
• [gmx-users] GMX and Celero   schraven at mpip-mainz.mpg.de
• [gmx-users] non-standard residue format   Elena Molteni
  • [gmx-users] non-standard residue format   David van der Spoel
• [gmx-users] Potential Energy Units   Farshid Mostowfi
  • [gmx-users] Potential Energy Units   David
    • [gmx-users] Potential Energy Units   Yuhua Song
• [gmx-users] g_cluster rmsd definition   Linda
  • [gmx-users] g_cluster rmsd definition   Roman Affentranger
• [gmx-users] CPUs in "mdrun_mpi" command!   Yinghong
  • [gmx-users] Re: crystal waters   Marc Bruning
    • [gmx-users] Re: crystal waters   Marc Lensink
• [gmx-users] Energy Calculation   Gaurav Porwal
  • [gmx-users] Energy Calculation   David
• [gmx-users] Energy Calculation   Ing. Vojtech Spiwok
  • [gmx-users] "Stepsize too small" - please help to understand this!!!   Semen Esilevsky
• [gmx-users] Everything you wanted to know...   Ing. Vojtech Spiwok
• [gmx-users] water density   Raghunadha Reddy Burri
• [gmx-users] OPLS, RB dihedrals and LJ-14 interactions   Bamidele Adisa
  • [gmx-users] OPLS, RB dihedrals and LJ-14 interactions   Lars Schaefer
• [gmx-users] Celeron Benchmark   Marcos Villarreal
• [gmx-users] Re: g_cluster rmsd definition (Roman Affentranger)   Linda
• [gmx-users] non-standard histidine   Elena Molteni
• [gmx-users] Fwd: g-rdf segmentation fault Mac OS X   Amil Anderson
• [gmx-users] enthalpy   parinald at unsl.edu.ar
  • [gmx-users] enthalpy   David
• [gmx-users] Question on pullcode   Xu Zhiping
  • [gmx-users] Question on pullcode   Semen Esilevsky
• [gmx-users] problem with mpi   Guoming Xiong
  • [gmx-users] problem with mpi   David
• [gmx-users] itp file for SPC water ?   Rui Qiao
  • [gmx-users] itp file for SPC water ?   David
• [gmx-users] how to put protein in the box?   Seonah Kim
• [gmx-users] Question on pullcode   Berk Hess
• [gmx-users] clustering "pdb outsiders"   Nuno R. L. Ferreira
  • [gmx-users] clustering "pdb outsiders"   Ghermes Chilov
  • [gmx-users] clustering "pdb outsiders"   Andrea Carotti
• [gmx-users] clustering "pdb outsiders"   Berk Hess
  • [gmx-users] clustering "pdb outsiders"   Nuno R. L. Ferreira
• [gmx-users] vaccum pockets   sadhna
• [gmx-users] coresponding force field for ffgmx.atp   SLN Prasad Reddy
  • [gmx-users] coresponding force field for ffgmx.atp   Nuno R. L. Ferreira
• [gmx-users] "types" in distance restraints   Elena Molteni
• [gmx-users] "types" in distance restraints   Berk Hess
• [gmx-users] g_cluster fatal error   Nuno R. L. Ferreira
• [gmx-users] g_covar and -fit   Leonardo Giantini Trabuco
  • [gmx-users] g_covar and -fit   Leonardo Giantini Trabuco
• [gmx-users] g_cluster fatal error   Berk Hess
  • [gmx-users] g_cluster fatal error   David van der Spoel
    • [gmx-users] g_cluster fatal error   Nuno R. L. Ferreira
  • [gmx-users] g_cluster fatal error   Nuno R. L. Ferreira
• [gmx-users] number of frames in trajectory   David L. Bostick
  • [gmx-users] number of frames in trajectory   Erik Lindahl
• [gmx-users] GROMACS on specialized hardware   Pratul K. Agarwal
• [gmx-users] GROMACS on specialized hardware   Pratul K. Agarwal
• [gmx-users] Essential dynamics and cosine content   Leonardo Giantini Trabuco
• [gmx-users] Essential dynamics and cosine content   Berk Hess
• [gmx-users] (no subject)   Fiona Reid
  • [gmx-users] (no subject)   David van der Spoel
• [gmx-users] mean life time   parinald at unsl.edu.ar
  • [gmx-users] mean life time   David
• [gmx-users] grompp problem with cpp -- "does not match topology"   yli at hcg.bmb.uga.edu
  • [gmx-users] grompp problem with cpp -- "does not match topology"   David
• [gmx-users] Bob Arenburg/Austin/IBM is out of the office.   Bob Arenburg
• [gmx-users] Possible problem in trxio.c   Pierfrancesco Zuccato
  • [gmx-users] Possible problem in trxio.c   David
• [gmx-users] energy contributions ...   Michael Brunsteiner

Last message date: Wed Jun 30 19:53:00 CEST 2004
Archived on: Thu Nov 14 12:00:52 CET 2013

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