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2018-11-15	Paul Bauer	Rework GMXAPI tests	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Mark new cmake variables advanced	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Add global directory for simulation test inputs	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Fix wrong branch for regressiontests	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Prepare for beta3	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	GROMACS 2019 second beta release	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix non ascii characters in manual references	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Make QM/MM code always compile	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Give more info when trying to build manual	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix formatting issue	commit \| commitdiff \| tree
2018-10-31	Paul Bauer	Add equation numbers in reference manual	commit \| commitdiff \| tree
2018-10-30	Paul Bauer	Change Table of contents depth	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Fix link formatting in developer manual	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Update user documentation overview	commit \| commitdiff \| tree
2018-10-25	Paul Bauer	Change doc build without image conversion	commit \| commitdiff \| tree
2018-10-24	Paul Bauer	Update QM gaussian interface	commit \| commitdiff \| tree
2018-10-24	Paul Bauer	Fix MPI w/o MPI_IN_PLACE	commit \| commitdiff \| tree
2018-10-22	Paul Bauer	Prepare for beta 2	commit \| commitdiff \| tree
2018-10-22	Paul Bauer	GROMACS 2019 first beta release	commit \| commitdiff \| tree
2018-10-18	Paul Bauer	Remove unused files in docs/manual	commit \| commitdiff \| tree
2018-10-18	Paul Bauer	Fix segmentation fault in gmx helix	commit \| commitdiff \| tree
2018-10-11	Paul Bauer	Add short security notice	commit \| commitdiff \| tree
2018-10-10	Paul Bauer	Include doi strings from zenodo during release	commit \| commitdiff \| tree
2018-10-10	Paul Bauer	Wrong name for report-methods tool	commit \| commitdiff \| tree
2018-10-08	Paul Bauer	Workaround for ICC postsubmit bug	commit \| commitdiff \| tree
2018-10-03	Paul Bauer	Change acceptable precision in minimizer test	commit \| commitdiff \| tree
2018-10-03	Paul Bauer	Disable GMXAPI when only building mdrun	commit \| commitdiff \| tree
2018-10-02	Paul Bauer	Fix include formatting in gmxapi	commit \| commitdiff \| tree
2018-10-01	Paul Bauer	Change get_atom_index to return int	commit \| commitdiff \| tree
2018-09-27	Paul Bauer	Add mindist output file check	commit \| commitdiff \| tree
2018-09-20	Paul Bauer	Separate methods to create localtop and t_topology	commit \| commitdiff \| tree
2018-09-20	Paul Bauer	Always use mtop constructor	commit \| commitdiff \| tree
2018-09-17	Paul Bauer	Properly initialize idef in topologies	commit \| commitdiff \| tree
2018-09-14	Paul Bauer	Remove LaTeX file writing from gmx check	commit \| commitdiff \| tree
2018-09-14	Paul Bauer	Introduce gmx report-methods	commit \| commitdiff \| tree
2018-09-09	Paul Bauer	Remove macro for group type in topology	commit \| commitdiff \| tree
2018-09-05	Paul Bauer	Changes to documentation build script	commit \| commitdiff \| tree
2018-09-05	Paul Bauer	Improve stability of parallel documentation build	commit \| commitdiff \| tree
2018-09-03	Paul Bauer	Fix error in documentation build	commit \| commitdiff \| tree
2018-09-03	Paul Bauer	Allow documentation to build in parallel	commit \| commitdiff \| tree
2018-08-30	Paul Bauer	More fixes from clang-tidy-7	commit \| commitdiff \| tree
2018-08-28	Paul Bauer	Fix documentation build without imagemagick	commit \| commitdiff \| tree
2018-08-27	Paul Bauer	Transfer information from old how-to section	commit \| commitdiff \| tree
2018-08-23	Paul Bauer	Update to prepare for 2018.4 point release	commit \| commitdiff \| tree
2018-08-23	Paul Bauer	Version 2018.3	commit \| commitdiff \| tree
2018-08-22	Paul Bauer	Fix trjconv when running without a structure file	commit \| commitdiff \| tree
2018-08-14	Paul Bauer	Updated links in user guide	commit \| commitdiff \| tree
2018-08-07	Paul Bauer	Remove duplicate entry for Doxygen from dev manual	commit \| commitdiff \| tree
2018-08-01	Paul Bauer	Fix -skip option for gmx rms	commit \| commitdiff \| tree
2018-07-30	Paul Bauer	Fix bfactor output	commit \| commitdiff \| tree
2018-07-24	Paul Bauer	Change manual section on restarts w/o checkpoint	commit \| commitdiff \| tree
2018-06-08	Paul Bauer	Fix gmx solvate with multiple solvent molecule types	commit \| commitdiff \| tree
2018-06-07	Paul Bauer	Change use of t_inpfile to std::vector	commit \| commitdiff \| tree
2018-06-07	Paul Bauer	Remove macros in input file reading	commit \| commitdiff \| tree
2018-06-06	Paul Bauer	Fix PQR file output	commit \| commitdiff \| tree
2018-05-30	Paul Bauer	Disallow use of empty box information in solvent files	commit \| commitdiff \| tree
2018-05-04	Paul Bauer	Fix md -cpi -noappend	commit \| commitdiff \| tree
2018-04-27	Paul Bauer	Fix file reading in gmx sans	commit \| commitdiff \| tree
2018-04-26	Paul Bauer	Reorganize files for reference manual	commit \| commitdiff \| tree
2018-04-26	Paul Bauer	Split up analysis chapter in reference manual	commit \| commitdiff \| tree
2018-04-26	Paul Bauer	Split up special topics section in manual	commit \| commitdiff \| tree
2018-04-26	Paul Bauer	Split up topology section in manual	commit \| commitdiff \| tree
2018-04-26	Paul Bauer	Split up algorithms manual page	commit \| commitdiff \| tree
2018-04-25	Paul Bauer	Add page breaks in reference manual	commit \| commitdiff \| tree
2018-04-25	Paul Bauer	Split up Interaction functions manual page	commit \| commitdiff \| tree
2018-04-25	Paul Bauer	Change image conversion to only be build once	commit \| commitdiff \| tree
2018-04-21	Paul Bauer	Convert manual from LaTeX to Markup	commit \| commitdiff \| tree
2018-04-21	Paul Bauer	Second change tracking commit	commit \| commitdiff \| tree
2018-04-21	Paul Bauer	Intermediate commit to track changes to manual	commit \| commitdiff \| tree
2018-04-18	Paul Bauer	Remove obsolete variable prec gro file output	commit \| commitdiff \| tree
2018-04-17	Paul Bauer	Fix legacy topology memory error	commit \| commitdiff \| tree
2018-03-29	Paul Bauer	Fix cmake Sphinx detection for versions >1.6.4	commit \| commitdiff \| tree
2018-03-16	Paul Bauer	Only free topology when allocated	commit \| commitdiff \| tree
2018-02-26	Paul Bauer	Change TNG file opening	commit \| commitdiff \| tree
2018-02-01	Paul Bauer	Add information for n2t file format	commit \| commitdiff \| tree
2018-01-18	Paul Bauer	Add contribution information to webpage	commit \| commitdiff \| tree
2018-01-04	Paul Bauer	Fix gmx msd when using COM removal and molecules	commit \| commitdiff \| tree
2018-01-03	Paul Bauer	Correct dihedral restraint section in Manual	commit \| commitdiff \| tree
2017-12-19	Paul Bauer	Removed -skip option from gmx energy	commit \| commitdiff \| tree
2017-12-14	Paul Bauer	Remove PBC before generating TPR with group scheme	commit \| commitdiff \| tree
2017-12-11	Paul Bauer	Fewer messages when -cpi file is not present	commit \| commitdiff \| tree
2017-12-11	Paul Bauer	Disallow combination of PME-user and verlet cutoff	commit \| commitdiff \| tree
2017-12-08	Paul Bauer	Add information regarding xlc compiler	commit \| commitdiff \| tree
2017-11-27	Paul Bauer	Add GPU task information to user-guide	commit \| commitdiff \| tree
2017-11-21	Paul Bauer	First general additions to the documentation	commit \| commitdiff \| tree
2017-11-01	Paul Bauer	Small change to LaTeX manual generation	commit \| commitdiff \| tree
2017-11-01	Paul Bauer	Fixing missing references in web documentation	commit \| commitdiff \| tree
2017-10-11	Paul Bauer	Change to modules for build of web documentation	commit \| commitdiff \| tree

The ultimate molecular dynamics simulation package

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