| 2012-01-25 |
David van der Spoel | Added two new bonded functions. |
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| 2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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| 2010-09-17 |
Berk Hess | fixed free-energy giving a fatal-error when GB12, GB13... |
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| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-08-18 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
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| 2010-08-18 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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| 2010-08-18 |
Erik Lindahl | Fix to write GB and surface energy to separate terms... |
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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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| 2010-03-12 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-03-11 |
Berk Hess | shortened too long energy names in md.log |
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| 2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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| 2010-02-18 |
Berk | added generating host to checkpoint file and once more... |
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| 2010-01-26 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-01-26 |
Per Larsson | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-01-26 |
Berk Hess | shortened too long names for GB bondeds |
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| 2010-01-19 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-01-13 |
Carsten Kutzner | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-01-11 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2010-01-07 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2010-01-07 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2010-01-05 |
Berk Hess | renamed restr. bond to restraint pot. |
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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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| 2010-01-04 |
Berk Hess | implemented restraint bonds |
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| 2010-01-04 |
Michael Shirts | No longer need to specify fep-lambda every time --... |
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| 2010-01-03 |
Michael Shirts | Fixed the issues with the restraint calculations. |
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| 2010-01-01 |
Michael Shirts | Latest revision of free energy changes. |
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| 2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-23 |
Michael Shirts | Fixed pressure dispersion correction order. |
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| 2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-23 |
Berk | fixed the order in ifunc |
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| 2009-12-22 |
Michael Shirts | fixing order of DISPCORR and PRES |
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| 2009-12-21 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-20 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-19 |
Michael Shirts | Committing to merge |
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| 2009-12-19 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-17 |
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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| 2009-10-25 |
Michael Shirts | Made changes suggested by Berk. |
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| 2009-09-26 |
Michael Shirts | 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 |
Michael Shirts | A number of changes to try to rationalize constraints... |
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| 2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2009-09-07 |
Michael Shirts | A number of changes to gromacs_mrs. Almost working... |
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| 2009-08-21 |
Sander Pronk | Merge branch 'thread_mpi'. Threads should work for... |
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| 2009-07-04 |
Sander Pronk | file names now const correct; builds in C++ |
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| 2009-06-24 |
Sander Pronk | Merge branch 'thread_mpi' of git@git.gromacs.org:gromac... |
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| 2009-06-24 |
Sander Pronk | Many thread-safety fixes in mdlib; better error reporti... |
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| 2009-06-22 |
Berk Hess | added the repulsion power to the tpr file and added... |
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| 2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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| 2009-04-21 |
lindahl | Initial CMAP support commit. |
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| 2009-03-30 |
hess | renamed dgdl to dhdl |
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| 2009-02-04 |
hess | energy file format change: energy averages are now... |
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| 2009-02-02 |
lindahl | Second round of generalized born commit. There is now... |
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| 2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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| 2008-06-17 |
hess | implemented checkpointing for distance and orientation... |
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| 2008-03-17 |
hess | implemented free-energy coupling options in grompp... |
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| 2008-03-04 |
hess | added -ddbc option to control the check for all bonded... |
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| 2008-02-13 |
hess | removed IF_BTYPE from TABBONDS |
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| 2008-01-22 |
hess | added parameter n for vsiten |
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| 2008-01-04 |
hess | merged vsite_cog and vsite_com into vsiten |
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| 2008-01-04 |
hess | implemented COG and COM vsites |
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| 2007-10-01 |
lindahl | Added new 4FDN vsite type that should be more stable... |
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| 2007-09-05 |
hess | changed the order of the parameters of tabulated bonded... |
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| 2007-07-03 |
hess | added constant force pulling and many small checks... |
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| 2007-04-21 |
hess | implemented two new scaling options for the posres... |
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| 2007-04-18 |
hess | mdrun now print the conserved energy for NVT Nose-Hoove... |
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| 2006-12-08 |
hess | implemented tabulated bonded potentials |
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| 2006-02-03 |
hess | added two new pair types for free-energy decoupling... |
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| 2005-08-31 |
hess | The last fixes for graphs not fully connected by normal... |
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| 2005-08-30 |
hess | fixed an ancient bug in the graph code that caused... |
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| 2005-06-03 |
spoel | Added a new polarization type: Thole polarization for... |
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| 2004-12-26 |
lindahl | Introduced separate function for 1,4 nonbonded interact... |
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| 2004-12-15 |
hess | added FENE bond and quartic angle potentials and slight... |
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| 2004-12-14 |
hess | renamed all dummy/dummies to vsite/vsites in all filena... |
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| 2004-08-19 |
hess | removed forcerec and the energy groups for do_14 from... |
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| 2004-08-10 |
hess | added reaction-field correction for excluded atom pairs... |
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| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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| 2004-01-20 |
spoel | Fixed error in the defintion of polarization |
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| 2004-01-18 |
spoel | More bugfixes. Shell code seems to work again. |
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| 2004-01-17 |
spoel | First real implementation of Urey-Bradley function... |
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| 2004-01-16 |
spoel | Fixed tpxio problems, added urey_bradley code. |
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| 2004-01-15 |
spoel | Added new functions in the bondf code. |
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| 2004-01-09 |
spoel | Added two new functions for bonded energy terms, a... |
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| 2003-11-17 |
spoel | Upped the version to 3.2.0 |
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| 2003-09-07 |
spoel | Fixed water bug, added infinite systems support, and... |
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| 2003-05-28 |
hess | position restraints force constants and positions can... |
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| 2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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| 2002-06-12 |
lindahl | Implemented free energy for Ryckaert-Bellemans so we... |
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| 2002-04-11 |
hess | reverted back to 1.34, now angles and dihedrals are... |
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| 2002-03-28 |
hess | made def_bonded IF_GRAPH, all bonded interactions are... |
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| 2002-03-28 |
hess | replaced IF_CONNECT by IF_GRAPH and IF_CHEMBOND |
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| 2002-03-28 |
spoel | Fixed SEGV bug in disres, due to the fact that disres... |
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| 2002-02-28 |
spoel | Updated copyrgt wrapper |
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| 2002-02-22 |
hess | made settles connect and made the code in mshift.c... |
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| 2002-02-01 |
hess | Changed the term violation for orientation restraints... |
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| 2002-01-25 |
hess | added orientation restraints, extended the energy file... |
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