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Disable AllvsAll kernels for very small systems (< 64 atoms).
2010-07-02 Rossen ApostolovDisable AllvsAll kernels for very small systems (<...
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2010-06-24 Rossen ApostolovInitial CTest support
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2010-06-23 Rossen ApostolovIncreased SHARED_VERSION_INFO to 6:0:0 (closing bug...
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2010-06-16 Rossen ApostolovSmall cleanup of the openmm section in mdrun.c
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2010-06-16 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs
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2010-06-16 Rossen ApostolovFixed the command line options for GPU binaries.
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2010-06-08 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs
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2010-06-08 Rossen ApostolovAdded missing C-terminal oxygens OC1 and OC2 to the...
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2010-06-07 Rossen ApostolovIssue a warning about using hardcoded OBC scale factors...
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2010-06-07 Rossen ApostolovOpenMM interface: issue a warning when the specified...
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2010-05-14 Rossen ApostolovThe relative error for calculation of Ewald and PME...
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2010-05-12 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs
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2010-05-12 Rossen ApostolovFix for Urey-Bradley potential in OpenMM
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2010-05-11 Rossen ApostolovAdded support for Urey-Bradley potentials to the openmm...
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2010-05-04 Rossen ApostolovFixed improper error message in openmm_wrapper.
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2010-04-01 Rossen ApostolovMinor fixes of typos.
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2010-03-31 Rossen ApostolovFixed a gmx_warning crash in openmm_wrapper.cpp
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2010-03-31 Rossen ApostolovFixed src/contrib/options.c to use the new parse_common_args...
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2010-03-27 Rossen ApostolovOpenMM: "md" option is now accepted.
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2010-03-24 Rossen ApostolovAllowing also CUDA versions later than 2.3.
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2010-03-24 Rossen ApostolovSignal handling is now enabled for the openmm platform.
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2010-03-17 Rossen Apostolovopenmm: some cleanup in md_openmm.c and mdrun.c
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2010-03-12 Rossen ApostolovEnabled checkpoints in OpenMM.
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2010-03-12 Rossen ApostolovAutomatically disable threads for OpenMM builds.
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2010-03-11 Rossen ApostolovVarious fixes.
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2010-03-11 Rossen ApostolovSmall fixes in mdrun desc.; enable periodic molecules
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2010-03-11 Szilard PallOpenMM build not dependent on fftw anymore
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2010-03-11 Szilard Pallfixed mdrun verbosity with OpenMM build
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2010-03-11 Szilard Pallfixed a missing comma and a typo in openmm_wrapper
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2010-03-11 Rossen ApostolovEnalbed -maxh option for usage with OpenMM binaries
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2010-03-11 Rossen ApostolovCleaned up do_md_openmm.
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2010-03-11 Szilard PallDelete src/kernel/do_md_openmm_nopatch.h, it's not...
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2010-03-11 Szilard PallMinor cleanup, some rearrangaments, and commenting.
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2010-03-11 Szilard PallReverted stupid change in CMaleLists.txt
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2010-03-11 Szilard PallRenamed md_openmm into openmm_wrapper, and do_md_openmm...
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2010-03-11 Rossen ApostolovReworked the integrator and thermostat options.
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2010-03-11 Rossen ApostolovFixed the wrong output time frames
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2010-03-11 Rossen Apostolovdo_md_opennmm.h (aka patched) now works but the time...
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2010-03-11 Rossen ApostolovInitial porting, do_md_openmm_nopatch.h is used.
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2009-10-02 Rossen ApostolovUsers are now refered to the new website in case of...
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2009-08-17 Rossen ApostolovFixed incorrect scaling of forces in reciprocal space...
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The ultimate molecular dynamics simulation package