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Merge remote-tracking branch 'gerrit/release-4-5-patches' into release-4-6
[alexxy/gromacs.git]
/
src
/
kernel
/
pdb2top.c
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-04-03
Roland Schulz
Merge "Fixes problems with g_msd and g_energy" into...
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2012-04-02
David van der Spoel
Merge "Improved pdb2gmx error message" into release...
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2012-04-02
Mark Abraham
Improved pdb2gmx error message
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-21
Roland Schulz
Removing unused code
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2012-03-20
Roland Schulz
Fix incorrect fclose usage
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentat...
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2012-02-23
Mark Abraham
Fix pdb2gmx -cmap in corner cases
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-11
Berk Hess
add pdb2gmx check for multiple .ff directories
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-11-05
Berk Hess
pdb2gmx now puts atoms with cgnr=-1 in separate charge...
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-28
Berk Hess
fixed pdb2gmx chain merging bug (bugzilla 544)
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2010-08-30
Mark Abraham
Made a pdb2gmx message less cryptic when it finds multi...
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Fixed gmxcpp to always use unix path separators in...
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-27
Erik Lindahl
Add current path (./) to topol.top include when force...
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
Modified pdb2gmx to automatically pick the force field...
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2010-08-26
Teemu Murtola
Fixed valgrind warnings and a segfault in pdb2gmx.
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Erik Lindahl
Revert "Made pdb2gmx be slightly more helpful when...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-25
Mark Abraham
Made pdb2gmx be slightly more helpful when using AMBER...
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2010-08-24
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-24
Berk Hess
fixed pdb2gmx behavior for nearly matching residue...
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2010-08-24
hess
reenabled the pdb2gmx force field sorting
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-23
Berk Hess
removed the pdb2gmx -cwd option and updated the pdb2gmx...
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2010-08-23
Berk Hess
pdb2gmx now prints the force field dir before the selec...
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2010-08-23
Mark Abraham
Two spelling fixes in comment and output
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2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
corrected pdb2gmx watermodel None counter print
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2010-07-24
Erik Lindahl
Second batch of file modifications to enable Amber...
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-18
Berk
pdb2gmx force field choices now start numbering at 1
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Berk Hess
added water model selection and list file to pdb2gmx
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-14
Berk Hess
added -cwd option to pdb2gmx
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-04
Berk Hess
fixed pdb2gmx messing up coordinates when deleting...
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2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-03
Sander Pronk
Bug fixes - now compiles on Windows.
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2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
changed internal Gromacs naming of cys, his and lys
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-12
David van der Spoel
Changed the output of topology files to include the...
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-30
Berk Hess
pdb2gmx now sorts the force field alphabetically
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2010-03-27
Berk
pdb2gmx now prints original residue names instead of...
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-10
Berk Hess
fixed hint in pdb2gmx warning
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-04
Berk Hess
removed commented out code in pdb2top
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2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-02-03
Berk Hess
fixed bug in previous commit of pdb2top.c
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2010-02-03
Berk Hess
fixed replace and add issues in pdb2gmx termini processing
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2010-02-03
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-03
Sander Pronk
Fixed some minor code issues.
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2010-02-02
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-02
Berk Hess
fixed bug in pdb2gmx tdb delete processing
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2010-02-01
Berk Hess
pdb2gmx can now rename and delete atoms form the input...
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2010-02-01
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-28
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-28
Berk Hess
pdb2gmx now checks for the existence of the water model...
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2010-01-28
Berk Hess
renamed libfn function to gmxlibfn
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2010-01-28
Berk Hess
pdb2gmx now writes the relative path to .top when the...
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2010-01-27
Berk Hess
pdb2gmx now detects and reads force field files from...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-17
Michael Shirts
Adding back in changes that mysteriously disappeared.
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2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
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2010-01-14
Berk Hess
fixed pdb2gmx -p dir/topol.top top include statements
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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