| 2011-08-02 |
Carsten Kutzner | Typo. |
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| 2011-07-01 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
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| 2011-06-23 |
Berk Hess | tpbconv can now read cpt files, fixes #741 |
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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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| 2011-03-23 |
Justin Lemkul | Tons of small fixes to documentation. |
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| 2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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| 2011-01-26 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
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| 2011-01-23 |
Mark Abraham | Improved consistency of text style usage |
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| 2011-01-21 |
Justin Lemkul | More minor formatting/editorial fixes for the manual. |
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| 2010-12-13 |
Berk Hess | fixed tpbconv time options leading to negative nsteps... |
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| 2010-11-22 |
Mark Abraham | Added a hint to the documentation for creating .tpr... |
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| 2010-11-12 |
Mark Abraham | Minor trjconv documentation formatting fix |
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| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-06-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-24 |
Szilard Pall | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-24 |
Berk Hess | implemented nsteps=-1 for mdrun continuation and tpbconv |
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| 2010-06-23 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-06-22 |
Sander Pronk | Most (if not all) file operations are now thread safe. |
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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 |
David van der Spoel | Added more fixes in comment texts, generously provided... |
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| 2010-06-12 |
Sander Pronk | More C90 pedantry. |
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| 2010-06-12 |
David van der Spoel | Fixed a lot of spelling errors in comments and document... |
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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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| 2009-12-20 |
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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| 2009-09-14 |
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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| 2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2009-09-09 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2009-09-07 |
Roland Schulz | renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t... |
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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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| 2009-08-25 |
Berk Hess | added option -vel to tpbconv |
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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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| 2009-07-01 |
Sander Pronk | enxio is thread safe (and quite possibly works) |
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| 2009-06-30 |
Sander Pronk | added output_env_t type for querying time scales, and... |
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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 | More fixes for warnings after enabling Gromacs compilat... |
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| 2009-06-03 |
teemu | Improved compilation (no errors, less warnings) of... |
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| 2009-03-06 |
hess | added t_resinfo struct to t_atoms which contains the... |
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| 2009-02-26 |
hess | added a note about checkpoint when using -f |
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| 2009-02-13 |
hess | added a note about checkpoint when using -f |
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| 2009-02-06 |
lindahl | Added header for make_seed() |
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| 2009-02-05 |
hess | tpbconv now changes ld-seed when reading a trajectory |
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| 2009-02-05 |
hess | tpbconv now changes ld-seed when reading a trajectory |
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| 2009-02-04 |
hess | energy file format change: energy averages are now... |
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| 2009-02-02 |
hess | changed most step count variables from int to gmx_step_t |
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| 2008-11-21 |
hess | allowed options and -until and -extend to work without... |
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| 2008-11-21 |
hess | allowed options and -until and -extend to work without... |
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| 2008-08-11 |
hess | added -nsteps and -runtime options and marked the old... |
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| 2008-08-05 |
hess | t_topology is now partially replaced by gmx_mtop_t... |
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| 2008-06-18 |
hess | fixed binary exact checkpoint continuation with pressur... |
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| 2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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| 2007-06-13 |
lindahl | Reverted out the multilambda supported committed yesterday. |
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| 2007-06-12 |
lindahl | Initial multilambda support added, i.e. we can now... |
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| 2007-04-11 |
hess | added the filetype to some counters and warning prints... |
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| 2007-04-11 |
hess | tpbconv now simultaneously checks if a trx and enx... |
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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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| 2006-04-19 |
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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| 2005-07-26 |
hess | fixed a bug introduced in the previous commit which... |
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| 2005-06-24 |
hess | forced reading of the TRN file when any of the time... |
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| 2005-04-07 |
hess | changed Ekin to the average of the half step Ekin's... |
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| 2004-09-06 |
spoel | Replaced the fatal_error routine by a more flexible... |
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| 2004-08-25 |
spoel | Clarified error message in case the index file and... |
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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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| 2003-08-15 |
hess | fixed the (not used) time of the state in the output... |
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| 2003-08-13 |
hess | fixed a typo in a printf |
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| 2003-08-13 |
hess | implemented ir->init_step in the integration and tpbcon... |
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| 2003-06-16 |
hess | added coupling data to tpx and enx and updated txtdump... |
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| 2003-06-12 |
hess | added a struct t_state which should contain all informa... |
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| 2003-05-10 |
spoel | Lots of small changes, anumber of small bug fixes. |
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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 copyrght header |
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| 2001-08-30 |
spoel | Included an option to set the charges of a user selecte... |
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| 2001-07-06 |
lindahl | Created final manual pages, html, and completions for... |
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| 2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
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| 2001-02-12 |
spoel | Changed DispCorr option from boolean to enumerated |
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| 2000-12-10 |
spoel | Fixed bu in new option until |
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| 2000-12-10 |
spoel | Added option -until |
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| 2000-09-14 |
hess | Committed the new innerloops for Erik Lindahl |
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| 2000-07-18 |
anton | thanx shoud go to stderr (remains visible when stdout... |
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| 2000-06-21 |
hess | fixed rounding for -extend |
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| 2000-01-11 |
anton | added -extend option |
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| 1999-11-03 |
hess | copyrgted |
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