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Fixed binary/lib suffixing inconsistencies (bug 539)
[alexxy/gromacs.git]
/
share
/
2010-09-08
Per Larsson
Fixed atomtype H0 for GBSA in amber03
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commitdiff
2010-09-08
Berk Hess
added MCH3S atom type for Charmm for virtual sites...
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commitdiff
2010-09-02
Rossen Apostolov
Another missing CMake file.
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commitdiff
2010-09-01
Mark Abraham
Formatting fixes to documentation
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commitdiff
2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-09-01
Mark Abraham
make_opt.html now doesn't use <h4>, rather it uses...
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commitdiff
2010-09-01
Mark Abraham
General fixes
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commitdiff
2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
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commitdiff
2010-08-30
Christoph Junghans
fixed Template.mak
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commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-27
Sander Pronk
Some documentation changes.
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commitdiff
2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
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commitdiff
2010-08-26
Mark Abraham
Made the description of ld_seed and gen_seed seed gener...
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commitdiff
2010-08-26
Erik Lindahl
Updated html documentation for release 4.5
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commitdiff
2010-08-26
Mark Abraham
Fixed HTML documentation to use proper '&ge', not ...
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commitdiff
2010-08-26
Mark Abraham
Clarified documentation about when gen_vel generates...
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commitdiff
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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commitdiff
2010-08-24
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-24
hess
added Amber terminal His rtp names to residuetypes.dat
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commitdiff
2010-08-24
hess
renamed oplsaa HISA to HISD and HISB to HISE in all...
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commitdiff
2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-23
Pär Bjelkmar
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-23
Pär Bjelkmar
Added CT3 termini and minor edit in doc file.
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commitdiff
2010-08-22
Erik Lindahl
Amber force fields now pass validation. Beta status...
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commitdiff
2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-18
Erik Lindahl
Modified atom order in Amber nucleotide improper torsio...
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commitdiff
2010-08-18
Erik Lindahl
Modified improper torsion atom order in Amber TRP resid...
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commitdiff
2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2010-08-17
Christoph Junghans
split libs in Template.mak
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commitdiff
2010-08-17
Christoph Junghans
make cmake install a CMakeLists.txt for the template...
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commitdiff
2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-10
Berk Hess
removed CYS2 from the Amber rtp files
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commitdiff
2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-08
Erik Lindahl
Added NHE as an Amber aminoacid residue type
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commitdiff
2010-08-08
Erik Lindahl
Copied CK-CB-N*-CT Amber improper to also list CK-CB...
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commitdiff
2010-08-08
Berk
moved nstcalcenergy just before nstenergy in mdp, log...
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commitdiff
2010-08-06
Roland Schulz
Merge branch 'release-4-5-patches' of ssh://git.gromacs...
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commitdiff
2010-08-06
Berk
removed + from opls NA ion in ions.tip, overlooked...
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commitdiff
2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-05
Berk Hess
sc_sigma now also sets the minimum value for the soft...
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commitdiff
2010-08-04
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-04
Berk Hess
grompp automatic nstcalcenergy setting now takes small...
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commitdiff
2010-08-04
Rossen Apostolov
Fix share/html/online/mdp_opt.html.
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commitdiff
2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-02
Erik Lindahl
Fixed build issue for template program in double precision
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commitdiff
2010-08-02
Berk Hess
corrected LJ on H of charmm tips3p
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commitdiff
2010-08-02
Pär Bjelkmar
Added CHARMM references
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commitdiff
2010-08-01
Erik Lindahl
Added ion classes to residuetypes.dat
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-30
Berk
added mdp parameters nsttcouple and nstpcouple
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-29
Berk
updated the #define names for amber99sb and amber99sb...
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commitdiff
2010-07-29
Berk
updated the charmm ff comments for the new water model...
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commitdiff
2010-07-29
Berk
updated the charmm ff comments for the new water model...
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commitdiff
2010-07-29
Rossen Apostolov
Removed OpenMM interface from autoconf, use CMake inste...
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-29
Erik Lindahl
Added residuedefinitions for water, and introduced...
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commitdiff
2010-07-29
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-29
Berk
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-07-29
Berk
corrected the Amber (unused) #define
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commitdiff
2010-07-29
Berk
put ion molecule definitions for GROMOS and OPLS back...
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-29
Berk
ion molecule, residue and atom names are now capitals...
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commitdiff
2010-07-29
Berk Hess
completed partial rename of CYN to CYS for Amber
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commitdiff
2010-07-29
Berk
added 12-6 wall potential
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commitdiff
2010-07-29
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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commitdiff
2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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commitdiff
2010-07-28
Christoph Junghans
updated template program to new header style and added...
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commitdiff
2010-07-28
Berk Hess
corrected the Amber aminoacids.r2b files
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commitdiff
2010-07-28
Berk Hess
replaced the Charmm vsite parameters (which were OPLS...
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commitdiff
2010-07-28
Berk Hess
corrected a vsite parameter in the amber ff's
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commitdiff
2010-07-28
Berk Hess
corrected Cl atom name in amber ions.itp
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commitdiff
2010-07-28
Berk Hess
amber ff atomtypes change: corrected masses, removed...
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commitdiff
2010-07-28
Berk Hess
update of amber03 aminoacids.rtp, accidentally left...
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commitdiff
2010-07-27
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-27
Berk Hess
corrected mistakes in amber03 gbsa.itp
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commitdiff
2010-07-27
Berk Hess
fixed typo in Makefile
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commitdiff
2010-07-27
Berk Hess
moved ff_dum.itp to the gmx and gromos ff directories
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commitdiff
2010-07-27
Berk Hess
corrected the amber vsite parameters
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commitdiff
2010-07-27
Berk Hess
added his to opls r2b file
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commitdiff
2010-07-27
Berk Hess
made the ff file naming of amber and charmm consistent...
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commitdiff
2010-07-27
Berk Hess
corrected the amber water model files
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commitdiff
2010-07-26
Erik Lindahl
Added lots of missing cmakedefines to config.h.cmakein
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Berk Hess
renamed amber LYP to LYS and changed names for water...
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commitdiff
2010-07-26
Berk Hess
removed HOH from amber rna.hdb
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commitdiff
2010-07-26
Berk Hess
added missing entries for amber rna.hdb
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commitdiff
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Erik Lindahl
Added NME to the list of amino acid names
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commitdiff
2010-07-26
Berk Hess
cleaned up Amber hdb's and added HO4
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commitdiff
2010-07-26
Berk Hess
renamed atom types from amber99_? etc. to the original...
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commitdiff
2010-07-26
Berk Hess
removed building block RT from the lists in share/top
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Berk Hess
added residue and atom renaming for AMBER dna and rna
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-26
Berk Hess
renamed O to O2 in amber rna.rtp
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commitdiff
2010-07-26
Erik Lindahl
Added gbsa.itp to Makefile.am in all amber force fields...
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commitdiff
2010-07-26
Erik Lindahl
Changed to non-prefixed default RNA residue names in...
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