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2010-10-29	Rossen Apostolov	added g_kinetics to the CMake build scripts	commit \| commitdiff \| tree
2010-09-25	Rossen Apostolov	Reverted changes to md_openmm.c, get rid of 'nan' in...	commit \| commitdiff \| tree
2010-09-25	Rossen Apostolov	mdrun-gpu now doesn't output individual energy term...	commit \| commitdiff \| tree
2010-09-21	Rossen Apostolov	Fixed missing installation of the openmm_api_wrapper...	commit \| commitdiff \| tree
2010-09-20	Rossen Apostolov	Added do_multiprot in src/contrib, thanks to Ran Friedman	commit \| commitdiff \| tree
2010-09-13	Rossen Apostolov	Added dependencies for openmm_api_wrapper	commit \| commitdiff \| tree
2010-09-13	Rossen Apostolov	Added library dependency for gmx_gpu_utils	commit \| commitdiff \| tree
2010-09-06	Rossen Apostolov	Added a note that running in double precision is slower.	commit \| commitdiff \| tree
2010-09-06	Rossen Apostolov	A lot of CMake options are now marked as advanced since...	commit \| commitdiff \| tree
2010-09-02	Rossen Apostolov	Another missing CMake file.	commit \| commitdiff \| tree
2010-09-02	Rossen Apostolov	Updated the version numbers to 4.5.1.	commit \| commitdiff \| tree
2010-09-02	Rossen Apostolov	Added for distribution missing CMake specific files.	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	New release: 4.5 (final). Yay!!!	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	Added g_rmsdist and g_rotmat to the CMake build system	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-09-01	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-31	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-31	Rossen Apostolov	OpenMM now accepts cut-off method, since it's needed...	commit \| commitdiff \| tree
2010-08-27	Rossen Apostolov	New release 4.5-beta4	commit \| commitdiff \| tree
2010-08-26	Rossen Apostolov	Modified the OpenMM wrapper interface to support the...	commit \| commitdiff \| tree
2010-08-26	Rossen Apostolov	Added the g_pme_error tool from Florian Dommert. Thanks!	commit \| commitdiff \| tree
2010-08-26	Rossen Apostolov	Fixed hardcoded OpenMM library name.	commit \| commitdiff \| tree
2010-08-26	Rossen Apostolov	Removed the unnecessary hacks from some boolean statements.	commit \| commitdiff \| tree
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	commit \| commitdiff \| tree
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-23	Rossen Apostolov	Fixed a typo about non-existing macro in OpenMM	commit \| commitdiff \| tree
2010-08-19	Rossen Apostolov	Enable the Reference platform for OpenMM.	commit \| commitdiff \| tree
2010-08-18	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-18	Rossen Apostolov	Fixed the execution order in OpenMM so that the generated...	commit \| commitdiff \| tree
2010-08-18	Rossen Apostolov	Preserve the .pl extentions to scripts.	commit \| commitdiff \| tree
2010-08-16	Rossen Apostolov	Removed the nb_kernel4xx_intel_syntax.c entries from...	commit \| commitdiff \| tree
2010-08-16	Rossen Apostolov	Added support for improper dihedrals needed for CHARMM...	commit \| commitdiff \| tree
2010-08-12	Rossen Apostolov	OpenMM: added support for AmberFF proper/improper torsion...	commit \| commitdiff \| tree
2010-08-12	Rossen Apostolov	Fixed a reverted version string in configure.ac	commit \| commitdiff \| tree
2010-08-12	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-12	Rossen Apostolov	Warnings about using broken MPI implementations.	commit \| commitdiff \| tree
2010-08-12	Rossen Apostolov	Updated the CMake scripts for finding CUDA, LibXml2...	commit \| commitdiff \| tree
2010-08-11	Rossen Apostolov	Fixed broken linking with single precision fftw3 in...	commit \| commitdiff \| tree
2010-08-11	Rossen Apostolov	Added a new file INSTALL.cmake with installation instructio...	commit \| commitdiff \| tree
2010-08-11	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-11	Rossen Apostolov	CMake builds now install GMXRC* files.	commit \| commitdiff \| tree
2010-08-11	Rossen Apostolov	Fix for CMake builds so that they don't fail even when...	commit \| commitdiff \| tree
2010-08-10	Rossen Apostolov	Bumped version to 4.5-beta3	commit \| commitdiff \| tree
2010-08-10	Rossen Apostolov	Fixed a typo in src/tools/CMakeLists.txt.	commit \| commitdiff \| tree
2010-08-10	Rossen Apostolov	Added missing NULL in chainsep enum in pdb2gmx.	commit \| commitdiff \| tree
2010-08-04	Rossen Apostolov	Fix share/html/online/mdp_opt.html.	commit \| commitdiff \| tree
2010-08-04	Rossen Apostolov	Fixed configure.ac typo regrading qmmm-orca.	commit \| commitdiff \| tree
2010-08-02	Rossen Apostolov	New beta release.	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Added *.pc.cmakein files for distribution	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Removed OpenMM interface from autoconf, use CMake instead...	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Fixed a typo in previous Makefile.am commit	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Added for distribution some extra files needed by CMake.	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Fixed typos in previous commit.	commit \| commitdiff \| tree
2010-07-29	Rossen Apostolov	Added missing assembly files in nonbonded/nb_kernel_x86_64_s...	commit \| commitdiff \| tree
2010-07-26	Rossen Apostolov	More make distcheck fixes.	commit \| commitdiff \| tree
2010-07-26	Rossen Apostolov	make distcheck fixes	commit \| commitdiff \| tree
2010-07-23	Rossen Apostolov	Adjust ewald_rtol when passing it to OpenMM.	commit \| commitdiff \| tree
2010-07-21	Rossen Apostolov	ewald_rtol adjustment for OpenMM.	commit \| commitdiff \| tree
2010-07-20	Rossen Apostolov	Added SHARED_VERSION_INFO to libgmxpreprocess.	commit \| commitdiff \| tree
2010-07-20	Rossen Apostolov	Moved the X11 automake dependency flag inside ngmx.	commit \| commitdiff \| tree
2010-07-20	Rossen Apostolov	Disabled adjustment of ewald_rtol for OpenMM.	commit \| commitdiff \| tree
2010-07-20	Rossen Apostolov	By default GMX_ACCELERATION is now "auto".	commit \| commitdiff \| tree
2010-07-20	Rossen Apostolov	Added support for OpenMM-2.0, and CUDA-3.1 is now required.	commit \| commitdiff \| tree
2010-07-02	Rossen Apostolov	Disable by default ia64 assembly loops. Those will...	commit \| commitdiff \| tree
2010-07-02	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-02	Rossen Apostolov	Disable AllvsAll kernels for very small systems (<...	commit \| commitdiff \| tree
2010-06-24	Rossen Apostolov	Initial CTest support	commit \| commitdiff \| tree
2010-06-23	Rossen Apostolov	Increased SHARED_VERSION_INFO to 6:0:0 (closing bug...	commit \| commitdiff \| tree
2010-06-16	Rossen Apostolov	Small cleanup of the openmm section in mdrun.c	commit \| commitdiff \| tree
2010-06-16	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-16	Rossen Apostolov	Fixed the command line options for GPU binaries.	commit \| commitdiff \| tree
2010-06-08	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-08	Rossen Apostolov	Added missing C-terminal oxygens OC1 and OC2 to the...	commit \| commitdiff \| tree
2010-06-07	Rossen Apostolov	Issue a warning about using hardcoded OBC scale factors...	commit \| commitdiff \| tree
2010-06-07	Rossen Apostolov	OpenMM interface: issue a warning when the specified...	commit \| commitdiff \| tree
2010-05-14	Rossen Apostolov	The relative error for calculation of Ewald and PME...	commit \| commitdiff \| tree
2010-05-12	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-05-12	Rossen Apostolov	Fix for Urey-Bradley potential in OpenMM	commit \| commitdiff \| tree
2010-05-11	Rossen Apostolov	Added support for Urey-Bradley potentials to the openmm...	commit \| commitdiff \| tree
2010-05-04	Rossen Apostolov	Fixed improper error message in openmm_wrapper.	commit \| commitdiff \| tree
2010-04-01	Rossen Apostolov	Minor fixes of typos.	commit \| commitdiff \| tree
2010-03-31	Rossen Apostolov	Fixed a gmx_warning crash in openmm_wrapper.cpp	commit \| commitdiff \| tree
2010-03-31	Rossen Apostolov	Fixed src/contrib/options.c to use the new parse_common_args...	commit \| commitdiff \| tree
2010-03-27	Rossen Apostolov	OpenMM: "md" option is now accepted.	commit \| commitdiff \| tree
2010-03-24	Rossen Apostolov	Allowing also CUDA versions later than 2.3.	commit \| commitdiff \| tree
2010-03-24	Rossen Apostolov	Signal handling is now enabled for the openmm platform.	commit \| commitdiff \| tree
2010-03-17	Rossen Apostolov	openmm: some cleanup in md_openmm.c and mdrun.c	commit \| commitdiff \| tree
2010-03-12	Rossen Apostolov	Enabled checkpoints in OpenMM.	commit \| commitdiff \| tree
2010-03-12	Rossen Apostolov	Automatically disable threads for OpenMM builds.	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Various fixes.	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Small fixes in mdrun desc.; enable periodic molecules	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Enalbed -maxh option for usage with OpenMM binaries	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Cleaned up do_md_openmm.	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Reworked the integrator and thermostat options.	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Fixed the wrong output time frames	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	do_md_opennmm.h (aka patched) now works but the time...	commit \| commitdiff \| tree
2010-03-11	Rossen Apostolov	Initial porting, do_md_openmm_nopatch.h is used.	commit \| commitdiff \| tree
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