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Updated the CMake scripts for finding CUDA, LibXml2 and MPI with the latest 2.8.2...
2010-08-12 Rossen ApostolovUpdated the CMake scripts for finding CUDA, LibXml2...
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2010-08-11 Rossen ApostolovFixed broken linking with single precision fftw3 in...
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2010-08-11 Rossen ApostolovAdded a new file INSTALL.cmake with installation instructio...
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2010-08-11 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-11 Rossen ApostolovCMake builds now install GMXRC* files.
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2010-08-11 Rossen ApostolovFix for CMake builds so that they don't fail even when...
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2010-08-10 Rossen ApostolovBumped version to 4.5-beta3
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2010-08-10 Rossen ApostolovFixed a typo in src/tools/CMakeLists.txt.
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2010-08-10 Rossen ApostolovAdded missing NULL in chainsep enum in pdb2gmx.
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2010-08-04 Rossen ApostolovFix share/html/online/mdp_opt.html.
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2010-08-04 Rossen ApostolovFixed configure.ac typo regrading qmmm-orca.
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2010-08-02 Rossen ApostolovNew beta release.
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2010-07-29 Rossen ApostolovAdded *.pc.cmakein files for distribution
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2010-07-29 Rossen ApostolovRemoved OpenMM interface from autoconf, use CMake instead...
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2010-07-29 Rossen ApostolovFixed a typo in previous Makefile.am commit
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2010-07-29 Rossen ApostolovAdded for distribution some extra files needed by CMake.
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2010-07-29 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs
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2010-07-29 Rossen ApostolovFixed typos in previous commit.
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2010-07-29 Rossen ApostolovAdded missing assembly files in nonbonded/nb_kernel_x86_64_s...
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2010-07-26 Rossen ApostolovMore make distcheck fixes.
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2010-07-26 Rossen Apostolovmake distcheck fixes
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2010-07-23 Rossen ApostolovAdjust ewald_rtol when passing it to OpenMM.
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2010-07-21 Rossen Apostolovewald_rtol adjustment for OpenMM.
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2010-07-20 Rossen ApostolovAdded SHARED_VERSION_INFO to libgmxpreprocess.
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2010-07-20 Rossen ApostolovMoved the X11 automake dependency flag inside ngmx.
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2010-07-20 Rossen ApostolovDisabled adjustment of ewald_rtol for OpenMM.
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2010-07-20 Rossen ApostolovBy default GMX_ACCELERATION is now "auto".
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2010-07-20 Rossen ApostolovAdded support for OpenMM-2.0, and CUDA-3.1 is now required.
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2010-07-02 Rossen ApostolovDisable by default ia64 assembly loops. Those will...
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2010-07-02 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs
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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