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Update copyright statements and change license to LGPL
[alexxy/gromacs.git]
/
src
/
kernel
/
ter_db.c
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2011-07-08
Mark Abraham
Clarified use of OPLS/AA zwitterion termini
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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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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2010-08-23
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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2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
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2010-07-25
Erik Lindahl
Resolved merge conflict
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2010-07-25
Erik Lindahl
Fixed bug for small systems in all-vs-all kernels,...
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2010-07-25
Sander Pronk
Removed extraneous argument from filter_ter().
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2010-07-25
Erik Lindahl
Enforce rule about matching rtp and tdb names to non...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-28
Teemu Murtola
Fixed some easy-to-fix C++ warnings.
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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
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
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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2010-04-27
Berk Hess
resolved merge conflicts
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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 also keeps the residue names CYS, HEM and HIS
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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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
removed the cgnr option for replace in the termini...
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2010-01-14
Berk Hess
cgnr is now properly read in ter db replace entries
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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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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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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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2009-01-20
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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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-02-03
spoel
Abstracted the t_atomtype and t_bon_atomtype data types,
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2005-04-01
spoel
Changed the format of .hdb amd .tdb files, see manual.
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2003-11-17
spoel
Upped the version to 3.2.0
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-05-02
lindahl
Modified the termini database routines to automatically...
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2002-02-28
spoel
Updated copyrght header
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2000-05-22
anton
read_ter_db now gets FF name and character to specify...
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1999-11-03
hess
copyrgted
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1999-08-24
lindahl
Added braces and initializers to avoid compiler warnings
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1999-08-09
anton
complete re-write of pdb2gmx datastructure: cleaned...
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1999-04-01
hess
added a missing #include
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1999-03-31
hess
fixed the dihedrals in the tdb
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1999-03-18
spoel
Added support for dihedrals in terblocks
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1999-02-03
hess
renamed and added dummies and changed a lot of NMR...
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1998-10-02
spoel
CHanged format of tdb files. They now use keywords...
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1998-07-29
anton
renamed t_terblock to t_hackblock, give filename to...
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1998-02-17
anton
fixed termini, esp. COOH
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1997-12-23
spoel
New file formats
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1997-12-23
anton
Edited by Copyright -> 2.0
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1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
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1997-11-03
spoel
Initial revision
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biod.pnpi.spb.ru / alexxy / gromacs.git / history