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Fix message about incorrect usage of dihedral type 9
[alexxy/gromacs.git]
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2014-06-23
Rossen Apostolov
Added tip5p to the list of watermodels in some FF.
tree
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commitdiff
2014-06-20
Rossen Apostolov
Fixed typo in oplsaa ASPH charges.
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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
2014-06-04
Rossen Apostolov
Updated C-/N-terminal partial charges in Amber03.ff.
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commitdiff
2013-05-30
Justin Lemkul
Added GROMOS96 54A7 force field files.
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commitdiff
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-13
David van der Spoel
Plain text quotes.
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commitdiff
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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commitdiff
2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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commitdiff
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
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commitdiff
2013-01-07
Roland Schulz
Merge "Print out atom numbers in g_rmsf" into release...
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commitdiff
2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
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commitdiff
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
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commitdiff
2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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commitdiff
2012-11-27
Roland Schulz
Remove CVS files
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commitdiff
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
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commitdiff
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-11-17
David van der Spoel
Merge "Added grompp warning" into release-4-6
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commitdiff
2012-11-17
David van der Spoel
Merge "Remove rest of the xml support" into release-4-6
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commitdiff
2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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commitdiff
2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
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commitdiff
2012-11-06
Berk Hess
Merge "Add option to install libcudart" into release-4-6
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commitdiff
2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
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commitdiff
2012-11-05
Berk Hess
Merge "updated several things related with OpenMP threa...
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commitdiff
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-10-26
David van der Spoel
Merge "Fixed Pulp Fiction quote" into release-4-5-patches
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commitdiff
2012-10-17
Roland Schulz
Fixed Pulp Fiction quote
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commitdiff
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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commitdiff
2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
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commitdiff
2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
tree
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commitdiff
2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
tree
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commitdiff
2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
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commitdiff
2012-09-07
David van der Spoel
Adapted NMR related data to new pdb format.
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commitdiff
2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
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commitdiff
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2012-08-22
Bogdan Iorga
Added PGLU entry in aminoacids.n.tdb for OPLS-AA.
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commitdiff
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
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commitdiff
2012-08-11
Mark Abraham
Fixing of things associated with aminoacid.rtp header
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commitdiff
2012-08-10
Mark Abraham
Added TIP4P back into CHARMM27
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
tree
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commitdiff
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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commitdiff
2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
tree
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commitdiff
2012-01-25
Alexey Shvetsov
g_sans - tool to compute SANS spectra
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commitdiff
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-01-14
Mark Abraham
Merge "Remove use of FindMPI.cmake" into release-4-6
tree
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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
tree
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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...
tree
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commitdiff
2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
tree
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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
2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
tree
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commitdiff
2011-10-19
Teemu Murtola
Merge "fixed pull constraining doing nothing, fixes...
tree
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commitdiff
2011-10-19
Mark Abraham
Corrected charge of CHARMM zinc ion to +2
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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
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commitdiff
2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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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
2011-05-10
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...
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commitdiff
2011-04-16
Justin A. Lemkul
Standardized spacing of *.ff/ions.itp and fixed some...
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commitdiff
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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commitdiff
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