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Fix message about incorrect usage of dihedral type 9
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2014-06-23 Rossen ApostolovAdded tip5p to the list of watermodels in some FF. tree | commitdiff
2014-06-20 Rossen ApostolovFixed typo in oplsaa ASPH charges. tree | commitdiff
2014-06-12 Erik LindahlAdded dummy mass for charmm TYR aromatic vsites tree | commitdiff
2014-06-11 Rossen ApostolovMapped HIS1 to HSD in charmm27. tree | commitdiff
2014-06-04 Rossen ApostolovUpdated C-/N-terminal partial charges in Amber03.ff. tree | commitdiff
2013-12-02 Mark AbrahamVersion bumps before release tree | commitdiff
2013-11-13 Mark AbrahamFix minor things before release tree | commitdiff
2013-09-16 Michael ShirtsFixing manual for sc-coul description. tree | commitdiff
2013-07-07 Mark AbrahamFixed minor admin issues tree | commitdiff
2013-05-30 Justin LemkulAdded GROMOS96 54A7 force field files. tree | commitdiff
2013-05-21 Mark AbrahamUpdated grompp cut-off and PME-Switch checks tree | commitdiff
2013-05-15 Christoph JunghansMerge "fixed incorrect scaling of cos-acceleration... tree | commitdiff
2013-05-10 Sander PronkMerge "Fixing handling of perturbation mass changes... tree | commitdiff
2013-05-10 Mark AbrahamMerge "Fixes "Function type U-B not implemented in... tree | commitdiff
2013-05-10 Mark AbrahamMerge "fixing rerun with free energy + .xtc or .gro... tree | commitdiff
2013-05-07 Mark AbrahamFix extant references to former GPL licensing tree | commitdiff
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches' tree | commitdiff
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Unwinds flag dependencies in g_order." into... tree | commitdiff
2013-02-13 Roland SchulzMerge "improve setup of multiple tf tables" into releas... tree | commitdiff
2013-02-13 David van der SpoelPlain text quotes. tree | commitdiff
2013-02-12 Mark AbrahamMerge "PME-only counters are now reset with -maxh ... tree | commitdiff
2013-02-12 Mark AbrahamMerge "fixed bug with sd integrator and OpenMP threadin... tree | commitdiff
2013-02-09 Roland SchulzMerge "Typo fix" into release-4-6 tree | commitdiff
2013-02-08 Mark AbrahamMerge "added back cuda.h includes to fix missing CUDA_V... tree | commitdiff
2013-02-08 Mark AbrahamMerge "Fixed flop counting for generic cg/adress kernel... tree | commitdiff
2013-02-08 Mark AbrahamMerge "cmake: fixed typo in template CMakeLists.txt... tree | commitdiff
2013-02-02 Christoph Junghanscmake: fixed typo in template CMakeLists.txt tree | commitdiff
2013-01-25 Christoph JunghansMerge "Moved a few comments back into position" into... tree | commitdiff
2013-01-22 Mark AbrahamMerge "Illegal acceleration defaulted to QPX" into... tree | commitdiff
2013-01-22 Mark AbrahamMerge "Re-licenced FindGROMACS.cmake (was written by... tree | commitdiff
2013-01-22 Mark AbrahamMerge "Updated html manual to 4.6" into release-4-6 tree | commitdiff
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data... tree | commitdiff
2013-01-22 Roland SchulzUpdated html manual to 4.6 tree | commitdiff
2013-01-19 Christoph JunghansRe-licenced FindGROMACS.cmake (was written by me) tree | commitdiff
2013-01-18 Michael ShirtsAddendum for expanded ensemble options plus formatting... tree | commitdiff
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-01-18 Mark AbrahamFixing copyright issues and code contributors tree | commitdiff
2013-01-17 Mark AbrahamMerge "Remove unnecessary ICC flags affecting performan... tree | commitdiff
2013-01-17 Mark AbrahamMerge "improved CUDA kernel performance by pre-loading... tree | commitdiff
2013-01-17 Christoph JunghansMerge "Added note about make_edi and flooding in ED... tree | commitdiff
2013-01-17 Christoph JunghansMerge "use the compiler version provided by CMake ... tree | commitdiff
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2013-01-17 Christoph JunghansMerge "note the reason for auto-disabling GPU support... tree | commitdiff
2013-01-17 Mark AbrahamMerge "Added mdp option 'calc-lambda-neighbors'." into... tree | commitdiff
2013-01-17 Roland SchulzMerge "clarify wording of GPU driver-related notes... tree | commitdiff
2013-01-17 Sander PronkAdded mdp option 'calc-lambda-neighbors'. tree | commitdiff
2013-01-17 Sander PronkFixes to free energy code, output & g_bar compatibility. tree | commitdiff
2013-01-15 Mark AbrahamMerge "Hid nbnxn kernel names behind a lookup function... tree | commitdiff
2013-01-15 Christoph JunghansMerge "disable OpenMP with all OS X gcc 4.2-based compi... tree | commitdiff
2013-01-15 Sander PronkMerge "Continuation of documentation for expanded ensem... tree | commitdiff
2013-01-15 Michael ShirtsContinuation of documentation for expanded ensemble. tree | commitdiff
2013-01-11 Christoph JunghansMerge "Fix CUDA being quiet and mark all CUDA_* as... tree | commitdiff
2013-01-11 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-01-11 Roland SchulzMerge "Handle compiler flags more flexibly" into releas... tree | commitdiff
2013-01-11 Christoph JunghansMerge "Remove incorrect assert added by 05f9a740" into... tree | commitdiff
2013-01-10 Mark AbrahamMerge "Revert default rlist/rvdw/rcoulomb to valid... tree | commitdiff
2013-01-10 Mark AbrahamMerge "fixed bug with Verlet + DD + bonded atom communi... tree | commitdiff
2013-01-10 Roland SchulzMerge "Move Windows shared/static options to later... tree | commitdiff
2013-01-10 Roland SchulzMerge "Remove workaround" into release-4-6 tree | commitdiff
2013-01-10 Erik LindahlRemove broken g_dih tool tree | commitdiff
2013-01-10 Erik LindahlRevert default rlist/rvdw/rcoulomb to valid values... tree | commitdiff
2013-01-09 Erik LindahlMerge "Corrected gmxcheck output for Gromos96 bonds... tree | commitdiff
2013-01-09 Roland SchulzMerge "[tools] g_sans - add trajectory avereging" into... tree | commitdiff
2013-01-07 Roland SchulzMerge "cmake: remove double-negative quotes logic"... tree | commitdiff
2013-01-07 Roland SchulzMerge "Print out atom numbers in g_rmsf" into release... tree | commitdiff
2013-01-07 Roland SchulzMerge "Ignore bool cast warning for MSVC and C++" into... tree | commitdiff
2013-01-07 David van der SpoelMerge "Removed reference to nonexistent file in g_helix... tree | commitdiff
2013-01-07 Roland SchulzMerge "improved reporting of failed affinity setting... tree | commitdiff
2013-01-07 Roland SchulzMerge "Fixed format error in online manual." into relea... tree | commitdiff
2013-01-07 Roland SchulzMerge "Fixed a bug that with multiple exchanges" into... tree | commitdiff
2013-01-07 Roland SchulzMerge "Essential dynamics: fixed restarts when ED group... tree | commitdiff
2013-01-07 Roland SchulzMerge "minor speed-up and code clean-up in nbnxn kernel... tree | commitdiff
2013-01-07 Christoph JunghansMerge "Make gmx_cpuid.h self-standing." into release-4-6 tree | commitdiff
2013-01-04 Teemu MurtolaMerge "Minor fixes to g_angle help description." into... tree | commitdiff
2013-01-04 Teemu MurtolaMerge "add an option to not build the template" into... tree | commitdiff
2013-01-03 Christoph Junghansadd an option to not build the template tree | commitdiff
2013-01-03 Justin LemkulFixed format error in online manual. tree | commitdiff
2012-12-20 Erik LindahlMerge "Small fix for g_tune_pme" into release-4-6 tree | commitdiff
2012-12-20 Christoph JunghansMerge "Fixed AVX256 double-precision kernels for gcc... tree | commitdiff
2012-12-19 Mark AbrahamMerge "Remove the rest of the fortran/power6 accelerati... tree | commitdiff
2012-12-19 Mark AbrahamMerge "Always build template program" into release-4-6 tree | commitdiff
2012-12-13 Christoph JunghansAlways build template program tree | commitdiff
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL tree | commitdiff
2012-11-28 Mark AbrahamMerge "Fix Window-GPU build" into release-4-6 tree | commitdiff
2012-11-28 Christoph JunghansMerge "Fix cpack src ignore rule" into release-4-6 tree | commitdiff
2012-11-28 Roland SchulzMerge "Remove CVS files" into release-4-6 tree | commitdiff
2012-11-27 Roland SchulzRemove CVS files tree | commitdiff
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-11-23 Roland SchulzMerge "removed group non-boneded call with verlet schem... tree | commitdiff
2012-11-23 Roland SchulzMerge "improve FindGROMACS.cmake" into release-4-6 tree | commitdiff
2012-11-22 Christoph Junghansimprove FindGROMACS.cmake tree | commitdiff
2012-11-20 Christoph JunghansMerge "Fix g_msd -mol" into release-4-6 tree | commitdiff
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-11-17 David van der SpoelMerge "Added grompp warning" into release-4-6 tree | commitdiff
2012-11-17 David van der SpoelMerge "Remove rest of the xml support" into release-4-6 tree | commitdiff
2012-11-17 Roland SchulzMerge "Removing Zn and Ar non-OPLS atom types" into... tree | commitdiff
2012-11-16 Roland SchulzRemoving Zn and Ar non-OPLS atom types tree | commitdiff
2012-11-10 Roland SchulzMerge "Fix broken manual formatting" into release-4-6 tree | commitdiff
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