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Always update mdatoms when doing energy minimisation
2016-10-06 Carlo CamilloniAlways update mdatoms when doing energy minimisation
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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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2016-09-06 Mark AbrahamWork around glibc 2.23 with CUDA
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2016-09-02 Berk HessFix Parrinello-Rahman with nstpcouple>1
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2016-07-29 David van der SpoelFixes incorrect charges in OPLS/AA-L for HISD and HISE
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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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2016-07-11 Michael ShirtsFix for incorrectly setting expanded ensemble when...
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2016-07-08 David van der SpoelIntroduce fatal error for too few frames in gmx dos.
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2016-06-28 Berk HessProperly reset CUDA application clocks
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2016-06-27 Berk HessUse sysconf(_SC_NPROCESSORS_ONLN)
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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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2016-04-19 Mark AbrahamFix mdp label generation
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2016-04-14 Carsten KutznerCorrected value of electric conversion factor f in...
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2016-04-04 Erik LindahlFix compile error for IBM VMX on ppc64
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2016-04-04 Erik LindahlFix SIMD detection on new AMD AVX CPUs w/o fma
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2016-03-31 James W. BarnettRevert behavior for handling SETTLE errors
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2016-03-30 Berk HessCorrect mdrun tMPI (non-)parallel error message
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2016-03-18 Mark AbrahamWarn about OpenMPI 1.8.6
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2016-03-18 Berk HessFix non-normalization of FFT autocorr
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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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2016-02-16 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 AbrahamMerge release-5-0 into release-5-1
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2016-01-26 Mark AbrahamFix default for GMX_USE_NVML
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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 AbrahamStop using UNDEFINED as name of a symbol
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2016-01-07 Mark AbrahamBackport md-vv fixes
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2015-12-29 Berk HessCorrect vector check of gmx check
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2015-12-27 Mark AbrahamFix some OpenCL issues
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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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2015-11-25 Elton CarvalhoRotate Figure 8.2 in manual.
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2015-11-24 Mark AbrahamFix error in multi-sim communication
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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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2015-10-15 Szilárd PállAdd CUDA nvcc >=7.0 support
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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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2015-09-26 Mark AbrahamFix reaction-field warning message
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2015-09-16 Szilard PallFix OpenCL build
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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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2015-08-14 Berk HessMake mdrun -nt work again
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-12 Mark AbrahamAdd documentation for energygrps with GPUs
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2015-08-11 Mark AbrahamAbort if PME tuning is active and counters reset
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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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2015-08-04 Mark AbrahamMerge release-5-0 into release-5-1
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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 AbrahamVersion bumps after new release
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2015-07-24 Mark AbrahamVersion 5.0.6
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2015-07-06 Mark AbrahamFirst 5.1 release candidate
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2015-07-06 Berk HessFix too small GPU pair count estimates
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2015-07-06 Berk HessFix bug in GPU list balancing
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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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2015-06-29 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-29 Mark AbrahamFix all use of nbnxn_simd.h
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2015-06-27 Berk HessImprove pair search thread load balance
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2015-06-27 Mark AbrahamMerge release-5-0 into master
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2015-06-26 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-25 Erik LindahlFix edr appending and exact continuation
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2015-06-25 Erik LindahlFix binary exact continuation for trajectories
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2015-06-25 Mark AbrahamMerge release-5-0 into master
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2015-06-24 Mark AbrahamMerge release-4-6 into release-5-0
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2015-06-15 Rossen ApostolovBuilding own fftw now uses version 3.3.4
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2015-06-12 Mark AbrahamFix commandline test data
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2015-06-09 Mark AbrahamMerge branch release-4-6 into release-5-0
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2015-06-09 Teemu MurtolaResolve one TODO for command line help tests
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2015-05-28 Teemu MurtolaImprove lists in user guide for selections
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2015-05-26 Mark AbrahamConvert ewald module to C++
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2015-05-26 Mark AbrahamFix use of hard-coded temporary filename
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2015-05-19 Mark AbrahamAdd checks for correct use of SIMD headers.
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2015-05-17 Mark AbrahamMerge branch origin/release-5-0
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2015-05-15 Szilard PallAssert the size of non-bonded GPU work units
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2015-05-13 Mark AbrahamVersion bumps after new release
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2015-05-13 Mark AbrahamVersion 5.0.5
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