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Improve FileNameOption error handling
[alexxy/gromacs.git]
/
share
/
2014-07-05
Teemu Murtola
Merge release-5-0 into master
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commitdiff
2014-06-30
Teemu Murtola
Merge release-5-0 into master
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commitdiff
2014-06-29
Mark Abraham
Refer to "mixed" precision in user-facing documentation
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commitdiff
2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-29
Michael Shirts
Allow printing potential energies to dhdl.xvg file
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commitdiff
2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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commitdiff
2014-06-28
ngoga
Default SD integrator is now sd1 by Nicu Goga
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commitdiff
2014-06-28
Roland Schulz
Merge release-5-0 into master
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commitdiff
2014-06-27
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-27
Carsten Kutzner
Remove obsolete pull-geometry option 'position' from...
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commitdiff
2014-06-26
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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commitdiff
2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-25
Erik Lindahl
Updated Amber GBSA parameters
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commitdiff
2014-06-24
Erik Lindahl
Fixed GROMOS assignment of PRO-NH terminus torsions
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commitdiff
2014-06-23
Erik Lindahl
Enable terminus-specific atom translation
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commitdiff
2014-06-23
Rossen Apostolov
Added tip5p to the list of watermodels in some FF.
tree
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commitdiff
2014-06-21
Erik Lindahl
Make sure masses are copied from termini databases
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commitdiff
2014-06-20
Rossen Apostolov
Fixed typo in oplsaa ASPH charges.
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commitdiff
2014-06-20
Rossen Apostolov
Removed unused parameters and cleanup of inputrec.
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commitdiff
2014-06-19
Roland Schulz
Merge release-5-0 into master
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commitdiff
2014-06-18
Roland Schulz
Merge release-5-0 into master
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commitdiff
2014-06-15
Teemu Murtola
Remove unused figures from share/html/
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commitdiff
2014-06-14
Rossen Apostolov
Added tip5pe water model to oplsa.
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commitdiff
2014-06-12
Erik Lindahl
Added dummy mass for charmm TYR aromatic vsites
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commitdiff
2014-06-11
Rossen Apostolov
Mapped HIS1 to HSD in charmm27.
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commitdiff
2014-06-07
David van der Spoel
Merge "Merge release-5-0 into master"
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commitdiff
2014-06-07
David van der Spoel
Merge release-5-0 into master
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commitdiff
2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
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commitdiff
2014-06-05
Mark Abraham
New quotes
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commitdiff
2014-06-05
Mark Abraham
Merge "Merge release-5-0 into master"
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commitdiff
2014-06-04
Rossen Apostolov
Updated C-/N-terminal partial charges in Amber03.ff.
tree
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commitdiff
2014-06-03
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-06-01
Szilárd Páll
Add quote on the kT-kj/mol conversion factor
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commitdiff
2014-06-01
Erik Lindahl
Two quotes contributed by Vedran Miletic
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commitdiff
2014-05-27
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-05-22
Berk Hess
Avoid energy drift with verlet-buffer-tolerance
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commitdiff
2014-05-10
Roland Schulz
Merge release-5-0 into master
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commitdiff
2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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commitdiff
2014-04-16
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-04-15
Mark Abraham
Beer + table soccer = quote!
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commitdiff
2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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commitdiff
2014-04-09
Justin Lemkul
Fixed MG typo in residuetypes.dat
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commitdiff
2014-03-31
Mark Abraham
Remove quote
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commitdiff
2014-03-31
Teemu Murtola
Remove dependency on commandline/ from oenv.cpp
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commitdiff
2014-03-23
Mark Abraham
Merge branch release-4-6
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commitdiff
2014-03-18
Mark Abraham
Revert "Added new amber99sb-ildn-bsc0 force field."
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commitdiff
2014-03-18
Mark Abraham
Removed more stuff related to gmx.ff and gmx2.ff
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commitdiff
2014-03-17
Mark Abraham
Merge branch release-4-6
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commitdiff
2014-03-11
Rossen Apostolov
Removed .itp files from top level directory.
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commitdiff
2014-03-06
Rossen Apostolov
Removed the deprecated gmx.ff and gmx2.ff.
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commitdiff
2014-03-06
David van der Spoel
Six new quotes from classic literature.
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commitdiff
2014-03-03
Roland Schulz
Merge release-4-6 into master
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commitdiff
2014-02-26
Michael Shirts
Updating and improving Andersen thermostat documentation
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commitdiff
2014-02-23
Rossen Apostolov
Removed deprecated Encad FF.
tree
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commitdiff
2014-02-21
Roland Schulz
Merge "Merge release-4-6 into master"
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commitdiff
2014-02-21
Nina Fischer
Added new amber99sb-ildn-bsc0 force field.
tree
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commitdiff
2014-02-21
Roland Schulz
Merge release-4-6 into master
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commitdiff
2014-02-20
Mark Abraham
Remove particle decomposition
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commitdiff
2014-02-19
Berk Hess
Implemented nbnxn LJ switch functions
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commitdiff
2014-02-16
Mark Abraham
Remove support for .g87 and .xyz I/O formats
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commitdiff
2014-02-15
Teemu Murtola
Fix some broken links in HTML pages
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commitdiff
2014-02-11
Mark Abraham
Split genbox into 'solvate' and 'insert-molecules'
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commitdiff
2014-02-06
Teemu Murtola
Fix build of share/template when installed
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commitdiff
2014-02-06
Roland Schulz
Use random seeds by default
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commitdiff
2014-02-02
Roland Schulz
Merge release-4-6 into master
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commitdiff
2014-02-02
Teemu Murtola
Simplify Options::setDescription() usage
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commitdiff
2014-01-30
Rossen Apostolov
Removed ions.itp from GMX/share/top directory.
tree
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commitdiff
2014-01-29
Justin Lemkul
Clarified use of table-extension..
tree
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commitdiff
2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
tree
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commitdiff
2014-01-28
Mark Abraham
Merge branch 'release-4-6'
tree
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commitdiff
2014-01-28
Teemu Murtola
Shell completion export from the wrapper binary
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commitdiff
2014-01-21
Justin Lemkul
Added ASPP and GLUP to residuetypes.dat.
tree
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commitdiff
2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
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commitdiff
2014-01-20
Magnus Lundborg
Add TNG writing and reading support
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commitdiff
2014-01-14
Teemu Murtola
Don't install links.dat
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commitdiff
2014-01-13
Teemu Murtola
Fix installation of HTML manual
tree
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commitdiff
2014-01-09
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2014-01-05
Carsten Kutzner
Removed a few typos in three German quotes.
tree
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commitdiff
2014-01-01
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2013-12-21
David van der Spoel
More Nobel quotes and others
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commitdiff
2013-12-17
Erik Lindahl
Added a bunch of quotes from the 2013 Nobel lectures
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commitdiff
2013-12-05
Mark Abraham
Fix administrivia
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commitdiff
2013-12-03
Berk Hess
Removed restriction of one reference pull group
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commitdiff
2013-12-02
Berk Hess
Made cutoff-scheme=Verlet the default
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commitdiff
2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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commitdiff
2013-12-02
Mark Abraham
Version bumps before release
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commitdiff
2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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commitdiff
2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
tree
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commitdiff
2013-12-02
Mark Abraham
Merge branch 'release-4-6'
tree
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commitdiff
2013-12-02
Teemu Murtola
Uniform behavior for 'make man' and 'make html'
tree
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commitdiff
2013-11-28
Teemu Murtola
Generate gromacs.7 from the wrapper binary
tree
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commitdiff
2013-11-28
Teemu Murtola
Uniform headers in HTML pages
tree
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commitdiff
2013-11-17
Teemu Murtola
Reformat existing LGPL copyright notices.
tree
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commitdiff
2013-11-17
Teemu Murtola
Remove more obsolete content from share/html.
tree
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commitdiff
2013-11-16
Teemu Murtola
Add listing of programs by topic to HTML output.
tree
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commitdiff
2013-11-15
Erik Lindahl
Merge "Merge branch release-4-6"
tree
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commitdiff
2013-11-15
Mark Abraham
Merge branch release-4-6
tree
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commitdiff
2013-11-13
Mark Abraham
Fix minor things before release
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commitdiff
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