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Merge "Merge release-4-5-patches into release-4-6" into release-4-6
[alexxy/gromacs.git]
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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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commitdiff
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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commitdiff
2012-03-15
Mark Abraham
Clarified wording of documentation
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commitdiff
2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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commitdiff
2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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commitdiff
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentat...
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commitdiff
2012-02-24
Mark Abraham
Minor formatting fixes to .mdp option documentation
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commitdiff
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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commitdiff
2012-02-20
Berk Hess
changed default epsilon-rf value to 0
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commitdiff
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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commitdiff
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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commitdiff
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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commitdiff
2012-02-02
Berk Hess
Improved the accuracy of the sd1 integrator
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commitdiff
2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
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commitdiff
2012-01-25
Alexey Shvetsov
g_sans - tool to compute SANS spectra
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commitdiff
2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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commitdiff
2012-01-25
Christoph Junghans
make gromacs manual build again
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commitdiff
2012-01-24
Sebastian Fritsch
Merge "document AdResS mdp options" into release-4-6
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commitdiff
2012-01-23
Christoph Junghans
document AdResS mdp options
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commitdiff
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-01-14
Mark Abraham
Merge "Remove use of FindMPI.cmake" into release-4-6
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commitdiff
2012-01-14
Mark Abraham
Merge "Removing outdated vsite comment" into release-4-6
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commitdiff
2012-01-13
Roland Schulz
Removing outdated vsite comment
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commitdiff
2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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commitdiff
2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
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commitdiff
2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
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commitdiff
2011-11-25
Roland Schulz
Merge "Changed cryptic variable names" into release-4-6
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commitdiff
2011-11-08
Alexey Shvetsov
mdp options in *.html also uses '-' instead of '_'
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commitdiff
2011-10-20
Alexey Shvetsov
Replace '_' to '-' in mdp options for tutorials
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commitdiff
2011-10-20
Christoph Junghans
Merge "Changed default value for g_anaeig -last to...
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commitdiff
2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
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commitdiff
2011-10-20
Christoph Junghans
Merge "Add CMakeLists.txt.user to gitignore" into relea...
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commitdiff
2011-10-19
Teemu Murtola
Merge "fixed pull constraining doing nothing, fixes...
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commitdiff
2011-10-19
Mark Abraham
Corrected charge of CHARMM zinc ion to +2
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commitdiff
2011-10-15
Christoph Junghans
Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
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commitdiff
2011-10-11
Alexey Shvetsov
Updated grompp.mdp for tutor/water
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commitdiff
2011-09-27
Mark Abraham
Added tip for converting .xpm to something useful
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commitdiff
2011-09-27
Mark Abraham
Removed autotools and references to them.
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commitdiff
2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
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commitdiff
2011-09-15
Berk Hess
Merge "Introduced different options for pdb2gmx termini...
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commitdiff
2011-09-13
Rossen Apostolov
Merge "Added warning line." into release-4-5-patches
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commitdiff
2011-09-13
Berk Hess
Merge "Fix pdb2gmx -debug and .hdb files" into release...
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commitdiff
2011-09-13
Berk Hess
Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal...
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commitdiff
2011-09-13
Berk Hess
Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp...
tree
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commitdiff
2011-09-13
Erik Lindahl
Fixed incorrection AmberGS force field (redmine #728)
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commitdiff
2011-09-13
Mark Abraham
Added ACE and CT3 to CHARMM27 aminoacids.rtp
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commitdiff
2011-09-13
Mark Abraham
Fixed charge groups of CHARMM27 DNA/RNA terminal H
tree
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commitdiff
2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-06-10
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-31
David van der Spoel
Added quote.
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commitdiff
2011-05-31
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-26
Justin A. Lemkul
Fixes to sugar dihedrals.
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commitdiff
2011-05-23
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-18
Rossen Apostolov
Fixed g_tcaf citation in html docs
tree
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commitdiff
2011-05-10
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
tree
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commitdiff
2011-05-02
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-05-01
Mark Abraham
Fixed description of .mdp option to "h-bonds"
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commitdiff
2011-04-28
Justin A. Lemkul
Small fixes to mdp_opt.html
tree
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commitdiff
2011-04-16
Justin A. Lemkul
Standardized spacing of *.ff/ions.itp and fixed some...
tree
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commitdiff
2011-04-04
David van der Spoel
Added 1 analysis tool manual.
tree
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commitdiff
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
tree
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commitdiff
2011-03-21
Rossen Apostolov
Added back Template.mak.
tree
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commitdiff
2011-03-21
Rossen Apostolov
Removed some template files from installation.
tree
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commitdiff
2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-02-26
Justin Lemkul
Another typo.
tree
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commitdiff
2011-02-26
Justin Lemkul
Fixed some typos in mdp_opt.html
tree
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commitdiff
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
tree
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commitdiff
2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
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commitdiff
2011-01-23
Mark Abraham
Improved consistency of text style usage
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commitdiff
2011-01-20
Mark Abraham
Added NHE to OPLS/AA pdb2gmx hydrogen database
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commitdiff
2011-01-18
Justin Lemkul
Fixes to the demo script.
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commitdiff
2011-01-17
Justin Lemkul
Fixes to methanol and mixed demos. Issue ID #669
tree
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commitdiff
2011-01-17
Justin Lemkul
Various editorial and formatting fixes
tree
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commitdiff
2011-01-17
Mark Abraham
Fix Angstrom <=> nm error in documentation
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commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-12-11
David van der Spoel
Added 1 quote.
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commitdiff
2010-12-10
Pär Bjelkmar
Added CHARMM neutral lysine, LYN, to residuetypes.dat.
tree
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commitdiff
2010-12-02
ckutzne
Fixed typo.
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commitdiff
2010-11-08
Pär Bjelkmar
Deleted redundant charmm27.ff/dna.r2b.
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commitdiff
2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-11-05
Pär Bjelkmar
More atom-based charge groups in CHARMM (termini and...
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commitdiff
2010-11-04
hess
added GB params for charmm MCH3S
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commitdiff
2010-10-30
Sander Pronk
Added Windows macro for snprintf.
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commitdiff
2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-10-28
Berk Hess
added HEM to HEME renaming for Gromos and Charmm ff's
tree
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commitdiff
2010-10-18
Berk Hess
fixed atom type name case for methanol.itp in gromos43a1.ff
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commitdiff
2010-10-18
Teemu Murtola
Use CMake install for install-mdrun (bugs #549, #555)
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