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Fixed improper error message in openmm_wrapper.
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 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 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