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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
share
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html
/
online
/
mdp_opt.html
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-08-28
Mark Abraham
Document correct comm_mode option
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
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2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
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2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
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2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
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2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
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2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-26
Szilard Pall
Corrected fourierspacing description
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
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2012-04-16
Roland Schulz
Merge "changed default for nstxout, nstvout and nstlog...
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2012-04-16
Berk Hess
changed default for nstxout, nstvout and nstlog
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2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
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2012-04-09
Mark Abraham
Lots of manual updates
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2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
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2012-04-09
Mark Abraham
Consolidated documentation of .mdp restraint options
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
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2012-03-18
David van der Spoel
Merge "Merge release-4-5-patches into release-4-6"...
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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2012-03-15
Mark Abraham
Clarified wording of documentation
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentat...
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2012-02-24
Mark Abraham
Minor formatting fixes to .mdp option documentation
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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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2012-02-20
Berk Hess
changed default epsilon-rf value to 0
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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2012-02-02
Berk Hess
Improved the accuracy of the sd1 integrator
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2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
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2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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2012-01-25
Christoph Junghans
make gromacs manual build again
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2012-01-24
Sebastian Fritsch
Merge "document AdResS mdp options" into release-4-6
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2012-01-23
Christoph Junghans
document AdResS mdp options
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
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2011-11-25
Roland Schulz
Merge "Changed cryptic variable names" into release-4-6
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2011-11-08
Alexey Shvetsov
mdp options in *.html also uses '-' instead of '_'
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2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-05-02
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-01
Mark Abraham
Fixed description of .mdp option to "h-bonds"
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2011-04-28
Justin A. Lemkul
Small fixes to mdp_opt.html
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-02-26
Justin Lemkul
Another typo.
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2011-02-26
Justin Lemkul
Fixed some typos in mdp_opt.html
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-01-23
Mark Abraham
Improved consistency of text style usage
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2011-01-17
Justin Lemkul
Various editorial and formatting fixes
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2011-01-17
Mark Abraham
Fix Angstrom <=> nm error in documentation
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2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-12-02
ckutzne
Fixed typo.
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2010-10-30
Sander Pronk
Added Windows macro for snprintf.
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2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-05
Berk Hess
renamed mdp setting Ace-approx to Ace-approximation
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2010-10-05
Mark Abraham
Fix manual references for 'continuation', rather than...
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2010-09-20
Per Larsson
Changes to GB non-polar solvation calculations
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2010-09-14
Mark Abraham
Formatting fixes to documentation
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2010-09-01
Mark Abraham
Formatting fixes to documentation
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2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
Mark Abraham
make_opt.html now doesn't use <h4>, rather it uses...
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2010-09-01
Mark Abraham
General fixes
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Sander Pronk
Some documentation changes.
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2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
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2010-08-26
Mark Abraham
Made the description of ld_seed and gen_seed seed gener...
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2010-08-26
Mark Abraham
Fixed HTML documentation to use proper '&ge', not ...
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2010-08-26
Mark Abraham
Clarified documentation about when gen_vel generates...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-08
Berk
moved nstcalcenergy just before nstenergy in mdp, log...
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