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additional fix to commit c5d62af07d01b8, now libmd also get suffixes
[alexxy/gromacs.git]
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-24
Berk Hess
removed obsolete fftgrid code and disabled PPPM with...
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commitdiff
2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-22
Pär Bjelkmar
Deleted double entries in atomtypes.
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commitdiff
2010-06-18
Berk
fixed pdb2gmx tip4p adn tip5p atom naming (although...
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commitdiff
2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-17
Berk Hess
added water model selection and list file to pdb2gmx
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commitdiff
2010-06-17
Berk Hess
made a separate tips3p.itp file for CHARMM
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commitdiff
2010-06-17
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-17
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-16
kasson
Merge branch 'mymaster'
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commitdiff
2010-06-16
Berk Hess
added spce to charmm27
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commitdiff
2010-06-16
Berk Hess
fixed atom naming in encad c-termini
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commitdiff
2010-06-16
Berk Hess
added nsteps=-1 option to mdp_opt.html
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commitdiff
2010-06-15
Berk Hess
fixed incorrect pdb2gmx CYS2 to CYS renaming which...
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commitdiff
2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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commitdiff
2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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commitdiff
2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-11
David van der Spoel
Fixed force field files for ATP in order to clear bug
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commitdiff
2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-08
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-08
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-08
Rossen Apostolov
Added missing C-terminal oxygens OC1 and OC2 to the...
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commitdiff
2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-03
Berk Hess
added notes on mdp disre parameters
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commitdiff
2010-06-03
Berk Hess
added VV parameters to mdp_opt.html
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commitdiff
2010-06-03
David van der Spoel
Made x2top (very) slightly functional again. Still...
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commitdiff
2010-06-02
David van der Spoel
Added explicit angle in ACE declaration in gromacs...
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commitdiff
2010-06-02
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-02
Berk Hess
fixed more Gromos atom type name cases
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commitdiff
2010-05-26
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-25
Per Larsson
Changed some GB-parameters in charmm27.ff
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commitdiff
2010-05-25
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-25
David van der Spoel
Added one more!
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commitdiff
2010-05-21
David van der Spoel
Added 1
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commitdiff
2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-18
David van der Spoel
Added a cool quote, and removed two comma's in openmp...
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commitdiff
2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-16
David van der Spoel
Fixed scattering function code in g_rdf. A new file...
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commitdiff
2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-12
Berk Hess
fixed case of atom types in the Gromos force fields
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commitdiff
2010-05-12
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-12
Erik Marklund
Removed references to nonexistent files which caused...
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commitdiff
2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-12
David van der Spoel
Delted two more superfluous files
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commitdiff
2010-05-11
Berk Hess
made atom types case sensitive
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' into hbond
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' into hbond
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commitdiff
2010-05-11
Teemu Murtola
Updated share/top Makefile.am files.
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-11
Erik Marklund
changed methanol.gro to methanol216.gro
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commitdiff
2010-05-11
David van der Spoel
Cleaned up in top directory. Moved a few old itp files...
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commitdiff
2010-05-11
David van der Spoel
Moved phosphate files into gmx.ff directory.
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commitdiff
2010-05-11
David van der Spoel
Moved propanol itp file top oplsaa.ff, removed two...
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commitdiff
2010-05-10
Berk Hess
fixed name in gromos43a1.ff Makefile.am
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commitdiff
2010-05-10
Berk Hess
moved alcohol files from top to the force field subdire...
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commitdiff
2010-05-10
Berk Hess
moved alcohol files from top to the force field subdire...
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commitdiff
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-07
Berk Hess
changed internal Gromacs naming of cys, his and lys
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commitdiff
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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commitdiff
2010-05-07
Berk Hess
nstenergy is now -1 by default, meaning nstlist
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commitdiff
2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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commitdiff
2010-04-30
David van der Spoel
Added one
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commitdiff
2010-04-27
Berk Hess
resolved merge conflicts
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commitdiff
2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-04-09
kasson
Merge branch 'master' of git://git.gromacs.org/gromacs
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commitdiff
2010-04-08
Pär Bjelkmar
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-04-08
Pär Bjelkmar
CHARMM Fix: HEME coordinattion of CO and HIS, and handl...
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commitdiff
2010-04-04
David van der Spoel
Added one.
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commitdiff
2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-03-31
David van der Spoel
Added one
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commitdiff
2010-03-30
Berk Hess
deprecated the Encad force field
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commitdiff
2010-03-30
Berk Hess
pdb2gmx now also keeps the residue names CYS, HEM and HIS
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commitdiff
2010-03-19
Sander Pronk
Added makefile.am to install charmm force field data.
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commitdiff
2010-03-16
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-03-16
Pär Bjelkmar
Added CHARMM27 force field (version 2.0beta) share...
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commitdiff
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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commitdiff
2010-02-15
David van der Spoel
Updated
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commitdiff
2010-02-09
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-02-09
David van der Spoel
Added an empty line to share/html/Makefile.am to fool...
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commitdiff
2010-02-06
David van der Spoel
Fixed htmldir stuff.
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commitdiff
2010-02-05
David van der Spoel
Configure now uses the --htmldir option.
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commitdiff
2010-02-05
David van der Spoel
Configure now uses the --htmldir option.
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commitdiff
2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-02-03
David van der Spoel
Removed FF.dat from share/top/Makefile.am
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commitdiff
2010-02-03
Berk Hess
Removed FF.dat
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commitdiff
2010-02-03
Berk Hess
updated Gromos c-termini databases for pdb2gmx changes
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commitdiff
2010-02-02
Berk Hess
fixed incorrect water H type in gmx spc.itp spce.itp...
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commitdiff
2010-02-02
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-02-02
Sander Pronk
Added backward-compatible ff*.itp files to Makefile.am
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