| 2012-01-25 |
David van der Spoel | Added two new bonded functions. |
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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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| 2011-02-13 |
Mark Abraham | Added workaround for F_GB13 duplicates |
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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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| 2010-07-23 |
Erik Lindahl | Remove proper torsions with zero force constant at... |
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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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| 2010-04-27 |
Berk Hess | resolved merge conflicts |
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| 2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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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 | Revisions to harmonize velocity verlet with Berk's... |
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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 |
Roland Schulz | Undo Michael's accidental commits with: |
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| 2010-01-04 |
Michael Shirts | Removed some legacy "#if 0" code. |
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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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| 2009-09-14 |
David van der Spoel | Merge branch 'master' of 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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| 2009-09-02 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-31 |
Erik Lindahl | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-31 |
Erik Lindahl | Changes to have GB detect 1-2,1-3,1-4 params from exclu... |
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| 2009-08-21 |
Sander Pronk | Merge branch 'thread_mpi'. Threads should work for... |
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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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| 2009-06-03 |
hess | updated for C++ compilation |
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| 2009-06-03 |
lindahl | Fixed another bunch of C++ compile errors. |
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| 2009-04-21 |
lindahl | Initial CMAP support commit. |
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| 2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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| 2008-10-10 |
lindahl | Merged in changes from final 4.0 release into head... |
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| 2008-10-08 |
lindahl | Changed grompp to allow zero multiplicity torsions... |
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| 2008-08-05 |
hess | t_topology is now partially replaced by gmx_mtop_t... |
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| 2008-03-17 |
hess | implemented free-energy coupling options in grompp... |
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| 2008-02-03 |
spoel | Abstracted the t_atomtype and t_bon_atomtype data types, |
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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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| 2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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| 2006-12-14 |
hess | removed the multinr arrays from the ilist and block... |
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| 2006-12-08 |
hess | implemented tabulated bonded potentials |
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| 2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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| 2006-04-05 |
hess | implemented parallel LINCS |
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| 2006-02-03 |
hess | added two new pair types for free-energy decoupling... |
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| 2005-06-03 |
spoel | Added a new polarization type: Thole polarization for... |
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| 2005-01-13 |
hess | for combination_rules 2 and 3 nonbonded_params and... |
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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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| 2004-09-06 |
spoel | Replaced the fatal_error routine by a more flexible... |
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| 2004-05-10 |
hess | changed count print for converting parameters to the... |
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| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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| 2004-01-17 |
spoel | First real implementation of Urey-Bradley function... |
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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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| 2003-05-28 |
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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| 2002-03-13 |
hess | changed pow in orires t_iparams to power to avoid probl... |
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| 2002-02-28 |
spoel | Updated copyrght header |
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| 2002-01-25 |
hess | added orientation restraints, extended the energy file... |
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| 2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
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| 2001-03-29 |
hess | added 3 new bond types and F_EQM |
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| 2001-03-28 |
hess | added bondtype 5 which has no potential |
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| 2000-09-14 |
hess | Committed the new innerloops for Erik Lindahl |
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| 2000-04-19 |
hess | put cubic bond stuff between ifdef USE_CUBICBONDS |
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| 2000-04-06 |
spoel | Added a new bond stretching potential. Too bad one... |
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| 2000-01-15 |
hess | did undo the previous commit, will change the manual... |
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| 2000-01-14 |
hess | swapped the fad paramter order to d, theta as in the... |
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| 1999-11-22 |
anton | replaced all uint ulong ushort by unsigned int/long... |
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| 1999-11-09 |
spoel | Fixed a bug in position restraint generation. |
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| 1999-11-03 |
hess | copyrgted |
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| 1999-10-25 |
spoel | Optimised convparm for position restraints, where check... |
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| 1999-08-24 |
anton | removed unused parameters |
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| 1999-07-29 |
hess | changed IF_SHAKE to IF_CONSTRAINT |
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| 1999-07-20 |
hess | removed 5 unused vars in all bondfree function calls |
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| 1999-06-04 |
hess | added angle restraints |
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| 1999-06-04 |
anton | added F_SHAKENC |
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| 1999-03-09 |
spoel | *** empty log message *** |
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| 1999-02-24 |
anton | removed dirty declaration |
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| 1999-02-03 |
hess | renamed and added dummies and changed a lot of NMR... |
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| 1998-11-30 |
spoel | Added code for water polarizibility potential |
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| 1998-08-05 |
anton | added F_DUMMY2FD/FAD |
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| 1998-03-11 |
spoel | Made a number of small changes: pressure coupling and... |
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| 1998-03-05 |
anton | removed unused vars, implicit type conversions and... |
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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