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Disable GMXAPI when only building mdrun
2018-10-03 Paul BauerDisable GMXAPI when only building mdrun
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2018-10-02 Paul BauerFix include formatting in gmxapi
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2018-10-01 Paul BauerChange get_atom_index to return int
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2018-09-20 Paul BauerSeparate methods to create localtop and t_topology
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2018-09-20 Paul BauerAlways use mtop constructor
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2018-09-17 Paul BauerProperly initialize idef in topologies
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2018-09-14 Paul BauerRemove LaTeX file writing from gmx check
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2018-09-14 Paul BauerIntroduce gmx report-methods
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2018-09-09 Paul BauerRemove macro for group type in topology
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2018-09-05 Paul BauerChanges to documentation build script
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2018-09-05 Paul BauerImprove stability of parallel documentation build
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2018-09-03 Paul BauerFix error in documentation build
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2018-09-03 Paul BauerAllow documentation to build in parallel
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2018-08-30 Paul BauerMore fixes from clang-tidy-7
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2018-08-28 Paul BauerFix documentation build without imagemagick
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2018-08-27 Paul BauerTransfer information from old how-to section
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2018-08-23 Paul BauerUpdate to prepare for 2018.4 point release
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2018-08-23 Paul BauerVersion 2018.3
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2018-08-22 Paul BauerFix trjconv when running without a structure file
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2018-08-14 Paul BauerUpdated links in user guide
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2018-08-07 Paul BauerRemove duplicate entry for Doxygen from dev manual
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2018-08-01 Paul BauerFix -skip option for gmx rms
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2018-07-30 Paul BauerFix bfactor output
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2018-07-24 Paul BauerChange manual section on restarts w/o checkpoint
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2018-06-08 Paul BauerFix gmx solvate with multiple solvent molecule types
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2018-06-07 Paul BauerChange use of t_inpfile to std::vector
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2018-06-07 Paul BauerRemove macros in input file reading
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2018-06-06 Paul BauerFix PQR file output
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2018-05-30 Paul BauerDisallow use of empty box information in solvent files
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2018-05-04 Paul BauerFix md -cpi -noappend
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2018-04-27 Paul BauerFix file reading in gmx sans
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2018-04-26 Paul BauerReorganize files for reference manual
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2018-04-26 Paul BauerSplit up analysis chapter in reference manual
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2018-04-26 Paul BauerSplit up special topics section in manual
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2018-04-26 Paul BauerSplit up topology section in manual
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2018-04-26 Paul BauerSplit up algorithms manual page
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2018-04-25 Paul BauerAdd page breaks in reference manual
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2018-04-25 Paul BauerSplit up Interaction functions manual page
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2018-04-25 Paul BauerChange image conversion to only be build once
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2018-04-21 Paul BauerConvert manual from LaTeX to Markup
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2018-04-21 Paul BauerSecond change tracking commit
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2018-04-21 Paul BauerIntermediate commit to track changes to manual
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2018-04-18 Paul BauerRemove obsolete variable prec gro file output
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2018-04-17 Paul BauerFix legacy topology memory error
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2018-03-29 Paul BauerFix cmake Sphinx detection for versions >1.6.4
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2018-03-16 Paul BauerOnly free topology when allocated
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2018-02-26 Paul BauerChange TNG file opening
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2018-02-01 Paul BauerAdd information for n2t file format
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2018-01-18 Paul BauerAdd contribution information to webpage
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2018-01-04 Paul BauerFix gmx msd when using COM removal and molecules
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2018-01-03 Paul BauerCorrect dihedral restraint section in Manual
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2017-12-19 Paul BauerRemoved -skip option from gmx energy
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2017-12-14 Paul BauerRemove PBC before generating TPR with group scheme
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2017-12-11 Paul BauerFewer messages when -cpi file is not present
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2017-12-11 Paul BauerDisallow combination of PME-user and verlet cutoff
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2017-12-08 Paul BauerAdd information regarding xlc compiler
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2017-11-27 Paul BauerAdd GPU task information to user-guide
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2017-11-21 Paul BauerFirst general additions to the documentation
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2017-11-01 Paul BauerSmall change to LaTeX manual generation
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2017-11-01 Paul BauerFixing missing references in web documentation
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2017-10-11 Paul BauerChange to modules for build of web documentation
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The ultimate molecular dynamics simulation package