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Fix message about incorrect usage of dihedral type 9
[alexxy/gromacs.git]
/
src
/
kernel
/
toppush.c
2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-06-10
Erik Lindahl
Process negative sigma correctly with combrule 2 or 3
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2013-10-16
Michael Shirts
Fixes a problem with pair type 2 interactions with...
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-16
Roland Schulz
Merge release-4-5-patches 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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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
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2012-01-31
David van der Spoel
Changed order of parameters in top file
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-20
Berk Hess
fixed too small fixed array in grompp top reading ...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
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2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Per Larsson
Changes to allow more than one whitespace in the cmap...
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2010-07-21
Erik Lindahl
Changes to enable Amber99
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-01
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-01
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-01
Berk Hess
cleaner fix for atom type case issue with GB parameters
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2010-06-01
Berk Hess
fixed atom type case issue with GB parameters
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Berk Hess
moved all global variables for input file checking...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off warninp.c with input reading warning routines...
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-03
Michael Shirts
Fixed the issues with the restraint calculations.
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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
added more options for free-energy molecule coupling
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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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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Sander Pronk
Made former atoi (atoi is not thread-safe) strtols...
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Berk Hess
fixed the grompp check from GBSA parameters
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-08-11
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-07
Berk Hess
added check for too many parameters in LJ types sections
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2009-06-27
Sander Pronk
atoi/atof are not thread-safe: replaced all instances...
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2009-06-03
hess
updated for C++ compilation
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2009-05-29
hess
fixed segv when B-top atom type was not found
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2009-05-29
hess
fixed segv when B-top atom type was not found
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2009-04-21
lindahl
Initial CMAP support commit.
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2009-04-09
hess
initialized a variable to keep the compiler happy
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2009-03-10
hess
really fixed segv
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2009-03-08
hess
fixed segv
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2009-01-24
rschulz
merge Dihedral fix
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2009-01-24
lindahl
Fixed patch merged in from release branch (push_bondnow...
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2009-01-24
rschulz
Small fix for multiple Dihedral (functype=9) e.g. for...
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2009-01-23
lindahl
Merged in change to toppush to allow charmm27 torsions.
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2009-01-23
lindahl
Fixed a bug only affecting not-yet-supported charmm27...
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2009-01-20
lindahl
Merged changes from 4.0.3 release into HEAD.
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2008-11-18
lindahl
Added support for dihedraltype 9, which allows multiple...
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2008-11-14
spoel
Moved around some functions and renamed them
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2008-08-08
hess
fixed incorrect error message for tabulated bondeds...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-06-12
hess
fixed B parameter copy for tabulated bonded potentials
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2008-03-17
hess
implemented free-energy coupling options in grompp...
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2008-02-26
spoel
Fixed stupid typo
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2008-02-17
spoel
Now storing atomicnumber in atom[n].atomnumber
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2008-02-03
spoel
Abstracted the t_atomtype and t_bon_atomtype data types,
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