2011-12-19 |
Carsten Kutzner | Enforced rotation |
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2011-12-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2011-12-08 |
Roland Schulz | Merge "Added an option to easily compile contrib progra... |
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2011-11-27 |
Roland Schulz | Merge "Fixes inconsistent spelling of Git cmake variabl... |
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2011-11-27 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2011-11-27 |
Roland Schulz | Merge "Replace '_' in all mdp options to '-'" into... |
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2011-10-20 |
Alexey Shvetsov | Replace '_' in all mdp options to '-' |
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2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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2010-10-08 |
David van der Spoel | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-10-05 |
Berk Hess | renamed mdp setting Ace-approx to Ace-approximation |
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2010-09-20 |
Per Larsson | Changes to GB non-polar solvation calculations |
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2010-08-21 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-20 |
Sander Pronk | Added support for new mdp options controlling free... |
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2010-07-29 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-07-29 |
Berk | added 12-6 wall potential |
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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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2010-01-05 |
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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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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2009-12-21 |
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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2009-12-17 |
Michael Shirts | Changed eiVV2 to eiVVAK, and "md-vv2" to "md-vv-avek... |
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2009-12-05 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-04 |
Michael Shirts | Rewrite of the half-step ekin for velocity verlet,... |
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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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2009-09-17 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-16 |
Sander Pronk | Merge branch 'master' of git.gromacs.org:gromacs |
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2009-09-15 |
Berk Hess | added pull geometry distance_periodic and reorganized... |
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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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2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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2009-02-23 |
pronk | Made cpp preprocessor work on .mdp files. |
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2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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2008-12-03 |
hess | Introduced generic charge-group - charge-group inner... |
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2008-07-24 |
hess | implemented velocity rescaling thermostat and fixed... |
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2008-05-29 |
lindahl | Added new generalized born parameters to tpr format. |
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2008-04-11 |
hess | implemented checkpoint files |
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2008-03-17 |
hess | implemented free-energy coupling options in grompp... |
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2008-03-11 |
hess | implemented screw pbc |
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2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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2008-01-11 |
hess | made two separate sd integrator options |
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2007-07-03 |
hess | added constant force pulling and many small checks... |
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2007-05-08 |
hess | added coulombtype Reaction-Field-zero |
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2007-04-21 |
hess | implemented two new scaling options for the posres... |
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2007-03-30 |
hess | complete rewrite of the pull code, now works in paralle... |
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2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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2007-01-29 |
hess | added integrator tpic and fixed bugs for tpi with more... |
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2006-08-17 |
hess | implemented PME-Switch electrostatics |
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2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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2006-03-24 |
hess | implemented proper local topologies for domain decompos... |
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2005-09-02 |
lindahl | Last part of the QM-MM patch. |
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2005-03-01 |
hess | implemented test particle insertion, activated the... |
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2005-02-08 |
spoel | Added support for a combination of PME and User determi... |
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2005-01-13 |
hess | for combination_rules 2 and 3 nonbonded_params and... |
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2004-12-26 |
lindahl | Added tip4p water optimization, removed MNO solvent... |
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2004-12-14 |
hess | renamed all dummy/dummies to vsite/vsites in all filena... |
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2004-09-24 |
spoel | Added more info for debugging and testing. |
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2004-08-28 |
lindahl | Added Encad shift functions to the table code. |
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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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2004-01-22 |
lindahl | Added Michael Shirts long-range dispersion and repulsio... |
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2003-11-27 |
lindahl | Added support for L-BFGS minimization. |
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2003-11-17 |
spoel | Upped the version to 3.2.0 |
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2002-12-04 |
spoel | Made use of graph optional (with epbcXYZ only) and... |
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2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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2002-02-28 |
spoel | Updated copyrgt wrapper |
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2002-02-26 |
lindahl | Fixed minor bugs in PPC G3 detection. |
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2002-02-18 |
hess | added a fit group for orientation restraining to fix... |
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2002-02-15 |
spoel | Added a whole bunch of changes to do with support for... |
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2002-01-25 |
hess | added orientation restraints, extended the energy file... |
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2002-01-09 |
spoel | Did quite a lot of cleaning in mdrun. nmrun is now... |
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2001-08-10 |
lindahl | Fixed a couple of spelling errors and formatting in... |
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2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
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2001-02-17 |
spoel | Forgot NULL in edsipc_names |
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2001-02-12 |
spoel | Changed DispCorr option from boolean to enumerated |
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2000-10-18 |
hess | implemented Wilfreds leap-frog integrator, renamed... |
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2000-09-21 |
spoel | Simplified init_neighbourlist |
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2000-09-15 |
spoel | Forgot these too. |
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2000-08-23 |
lindahl | Added an alias to use berendsen temperature and pressur... |
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2000-08-22 |
lindahl | Introduced Nose-Hoover and Parinello-Rahman extended... |
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2000-06-06 |
hess | changed none to no for ePBCl |
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2000-06-06 |
hess | implemented fully anisotropic pressure coupling, change... |
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2000-05-24 |
hess | removed nstlincsout, added sc_sigma and changed ir... |
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2000-02-10 |
hess | added softcore option in inputrec, removed deltagrid... |
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2000-01-26 |
hess | added SD integrator, I hope the algorithm is accurate... |
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1999-11-13 |
spoel | Included new list of strings for group types |
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1999-11-03 |
hess | copyrgted |
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1999-07-26 |
lindahl | Added definitions used for PME & ewald electrostatics |
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1999-05-03 |
hess | added surface tension coupling |
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1999-03-30 |
spoel | Added support for twin-range cutoffs with other than... |
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1999-03-13 |
spoel | Added forgotten name |
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