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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
kernel
/
pdb2top.c
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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2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-01
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Roland Schulz
close all files with ffclose which are opened with...
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Berk Hess
new features for the termini database: replace now...
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-12
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-10
Berk Hess
changed pdb2gmx -nocmap option to -cmap
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2009-09-10
Per Larsson
Added -nocmap switch to pdb2gmx, to toggle cmap per...
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-08
Per Larsson
reduced the number of arguments in function add_cmap_param
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2009-07-08
Per Larsson
Added a comment to gen_cmap to clarify ending a for...
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2009-07-08
Per Larsson
Fixed a typo in a commnent in gen_cmap
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2009-07-08
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-08
Per Larsson
Fixed an invalid read of 4 bytes with cmap
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
lindahl
Restored C++ "fixes" that caused warnings for C.
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2009-06-03
lindahl
Fixed warnings when GNU C++ 4.3 is used.
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2009-06-03
hess
updated for C++ compilation
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2009-04-24
per
Fixed a bug
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2009-04-24
hess
fixed typo in boolean name
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2009-04-22
lindahl
Added pdb2gmx option to remove charge groups.
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-01-20
lindahl
Merged changes from 4.0.3 release into HEAD.
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2009-01-18
lindahl
Fixed a ton of compiler warnings now generated with...
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2008-06-12
spoel
Moved new x2top to contrib and renamed to gentop. Reins...
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2008-02-03
spoel
Abstracted the t_atomtype and t_bon_atomtype data types,
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2007-10-01
lindahl
Added new 4FDN vsite type that should be more stable...
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