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Clarify use of tau-p and pcoupltype
2017-02-02 Mark AbrahamClarify use of tau-p and pcoupltype
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2017-01-22 Mark AbrahamFixed gmx rmsf -q -oq.
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2016-09-08 Mark AbrahamBumped patch number to prepare for future 5.1.5 release
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2016-09-07 Mark AbrahamVersion 5.1.4
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2016-09-07 Mark AbrahamRemoved HIS1 from oplsaa and charmm definitions
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2016-09-07 Mark AbrahamFix LYN charges in amber03
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2016-09-07 Mark AbrahamFix amber03 HIP charges
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2016-09-06 Mark AbrahamWork around glibc 2.23 with CUDA
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2016-07-21 Mark AbrahamBumped patch number to prepare for future 5.1.4 release
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2016-07-13 Mark AbrahamVersion 5.1.3
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2016-06-23 Mark AbrahamPrevent use of mdrun -maxh -multi
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2016-06-17 Mark AbrahamFix multi-sim + DD + simple distance restraints
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2016-06-02 Mark AbrahamMake more CMake variables advanced
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2016-06-02 Mark AbrahamIgnore stderr when detecting SIMD and build info
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2016-05-27 Mark AbrahamFix reading of bonded tables
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2016-05-10 Mark AbrahamMinor update to sphinx dependency
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2016-05-08 Mark AbrahamFix constants, units and conversion factors
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2016-04-19 Mark AbrahamFix mdp label generation
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2016-03-18 Mark AbrahamWarn about OpenMPI 1.8.6
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2016-03-18 Mark AbrahamFix typo in Fourier dihedral equation
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2016-03-15 Mark AbrahamMerge branch release-5-0 into release-5-1
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2016-03-11 Mark AbrahamMerge branch release-5-0 into release-5-1
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2016-02-19 Mark AbrahamMake both ftp and http links for source download
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2016-02-18 Mark AbrahamUpdated reference manual text about PME tuning
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2016-02-16 Mark AbrahamMerge branch release-5-0 into release-5-1
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2016-02-14 Mark AbrahamRe-generated eps for figure 4.8
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2016-02-08 Mark AbrahamMerge branch release-5-0 into release-5-1
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2016-02-03 Mark AbrahamBumped patch number to prepare for future 5.1.3 release
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2016-02-03 Mark AbrahamVersion 5.1.2
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2016-02-03 Mark AbrahamFix grompp not warning when .mdp values have wrong...
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2016-02-03 Mark AbrahamMerge release-5-0 into release-5-1
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2016-02-03 Mark AbrahamFix dEkin/dl handling with multiple ranks
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2016-01-28 Mark AbrahamAdd OpenCL source file types to copyright checker
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2016-01-27 Mark AbrahamAdd suggestions for updating binutils
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2016-01-26 Mark AbrahamFix default for GMX_USE_NVML
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2016-01-24 Mark AbrahamFix duplicate LaTeX equation label
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2016-01-24 Mark AbrahamUpdate references to HTML and online documentation
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2016-01-13 Mark AbrahamAllowed NVML support to be toggled
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2016-01-12 Mark AbrahamMerge branch release-5-0 into release-5-1
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2016-01-07 Mark AbrahamAvoid more C++ bindings for MPI
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2016-01-07 Mark AbrahamDocument how potential-switch works
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2016-01-07 Mark AbrahamStop using UNDEFINED as name of a symbol
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2016-01-07 Mark AbrahamBackport md-vv fixes
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2015-12-27 Mark AbrahamFix some OpenCL issues
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2015-12-12 Mark AbrahamRequire Nose-Hoover with MTTK
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2015-12-11 Mark AbrahamStop global communication depending on integrator
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2015-12-08 Mark AbrahamMerge branch 'release-5-0' into release-5-1
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2015-12-08 Mark AbrahamFix Trotter integration
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2015-11-24 Mark AbrahamFix error in multi-sim communication
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2015-11-14 Mark AbrahamFix walltime measurement with bgclang
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2015-11-11 Mark AbrahamMerge release-5-0 into release-5-1
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2015-11-10 Mark AbrahamBump patch version to prepare for 5.1.2
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2015-11-04 Mark AbrahamVersion 5.1.1
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2015-10-28 Mark AbrahamSuppress warnings when we have OpenCL 2.0 support
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2015-10-19 Mark AbrahamFix cycle subcounters
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2015-10-14 Mark AbrahamMerge release-5-0 into release-5-1
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2015-10-14 Mark AbrahamVersion bumps after release
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2015-10-14 Mark AbrahamVersion 5.0.7
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2015-10-13 Mark AbrahamMerge branch release-4-6 into release-5-0
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2015-10-07 Mark AbrahamFixed FFTW detection status message location
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2015-10-05 Mark AbrahamMerge release-5-0 into release-5-1
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2015-10-03 Mark AbrahamFix FindFFTW behaviour
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2015-10-03 Mark AbrahamFix mdrun -nb auto -rerun with GPU and energy groups
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2015-09-26 Mark AbrahamFix reaction-field warning message
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2015-09-06 Mark AbrahamAdd GROMACS 5 paper to paper lists
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2015-08-19 Mark AbrahamHarden FindSphinx.cmake
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2015-08-14 Mark AbrahamBump patch version to prepare for 5.1.1
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2015-08-14 Mark AbrahamVersion 5.1
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-13 Mark AbrahamRe-enable multi-GPU support in OpenCL for thread MPI
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2015-08-13 Mark AbrahamDocumentation fixes
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2015-08-13 Mark AbrahamAvoid FP exception with empty .mdp file
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2015-08-12 Mark AbrahamAdd documentation for energygrps with GPUs
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2015-08-12 Mark AbrahamAdd to author lists
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2015-08-11 Mark AbrahamAbort if PME tuning is active and counters reset
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2015-08-10 Mark AbrahamRequire tune_pme to take -mdrun parameter
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2015-08-08 Mark AbrahamMerge branch release-5-0 into release-5-1
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2015-08-08 Mark AbrahamFix docs of ftypes of dihedrals
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2015-08-06 Mark AbrahamFix FindNVML.cmake
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2015-08-06 Mark AbrahamFix thread-affinity checking
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2015-08-05 Mark AbrahamFix em dash in new reference
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2015-08-04 Mark AbrahamMerge release-5-0 into release-5-1
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2015-08-03 Mark AbrahamFix use of wrongly-named GCC minor-version variable
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2015-08-03 Mark AbrahamFix possible linking of libxml2 to zlib
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2015-07-26 Mark AbrahamMerge branch release-5-0 into release-5-1
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2015-07-26 Mark AbrahamStop mdrun printing potentially undefined value
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2015-07-26 Mark AbrahamVersion bumps after new release
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2015-07-24 Mark AbrahamVersion 5.0.6
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2015-07-19 Mark AbrahamUpdate advice about grompp -t
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2015-07-08 Mark AbrahamGive bTypePerturbed a valid initial value
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2015-07-08 Mark AbrahamFix grompp .edr IO estimate for free-energy calcs
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2015-07-06 Mark AbrahamFirst 5.1 release candidate
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2015-07-03 Mark AbrahamFix ThreadMPI GPU assumptions
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2015-06-30 Mark AbrahamDocument how to add and use NVML support
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2015-06-30 Mark AbrahamAvoid GPU data race also with OpenCL
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2015-06-30 Mark AbrahamAdd support for flushing WDDM queue
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2015-06-29 Mark AbrahamMerge "Merge branch release-5-0"
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2015-06-29 Mark AbrahamMerge branch release-5-0
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2015-06-29 Mark AbrahamDocumented build types in developer guide
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The ultimate molecular dynamics simulation package