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enable GPU emulation without GPU support
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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
2012-11-10 Mark AbrahamFix broken manual formatting tree | commitdiff
2012-11-08 Christoph JunghansMerge "auto-set nvcc host compiler with FindMPI detecti... tree | commitdiff
2012-11-08 Erik LindahlInfrastructure for new group kernels, and new C kernels tree | commitdiff
2012-11-06 Roland SchulzMerge "Clarification of mdp_opt, add nstexpand defaults... tree | commitdiff
2012-11-06 Berk HessMerge "Add option to install libcudart" into release-4-6 tree | commitdiff
2012-11-06 Michael ShirtsClarification of mdp_opt, add nstexpand defaults &... tree | commitdiff
2012-11-06 Berk HessMerge "don't execute any mpi_info/mpiname in the path... tree | commitdiff
2012-11-05 Berk HessMerge "updated several things related with OpenMP threa... tree | commitdiff
2012-11-03 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-10-26 Christoph JunghansMerge "enable GMX_PREFER_STATIC_LIBS CMake option on... tree | commitdiff
2012-10-26 Christoph JunghansMerge "fix false positive gcc 4.7 warning in libxdrf... tree | commitdiff
2012-10-26 David van der SpoelMerge "Fixed Pulp Fiction quote" into release-4-5-patches tree | commitdiff
2012-10-26 Roland SchulzMerge "set the default for nstdhdl to 100" into release-4-6 tree | commitdiff
2012-10-26 Berk Hessset the default for nstdhdl to 100 tree | commitdiff
2012-10-17 Roland SchulzFixed Pulp Fiction quote tree | commitdiff
2012-10-17 KassonMerge "Make Gromacs compile without C++ compiler" into... tree | commitdiff
2012-10-08 Berk Hessmade non-bonded potential shifts mdp options tree | commitdiff
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality tree | commitdiff
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-09-24 KassonMerge "Fixed segfault with FE code for older tpr files... tree | commitdiff
2012-09-15 KassonMerge "Fix some memory leaks." into release-4-5-patches tree | commitdiff
2012-09-15 David van der SpoelMerge "Adapted NMR related data to new pdb format.... tree | commitdiff
2012-09-10 Roland SchulzMerge "Update use of CPack components and add install... tree | commitdiff
2012-09-07 Christoph JunghansMerge "Fix VMD plugins on Windows" into release-4-6 tree | commitdiff
2012-09-07 David van der SpoelAdapted NMR related data to new pdb format. tree | commitdiff
2012-09-06 Roland SchulzMerge "Fixed .g96 trajectory reading." into release... tree | commitdiff
2012-09-04 Christoph JunghansMerge "Fixes too many backup files for *.nroff files... tree | commitdiff
2012-09-04 David van der SpoelMade tutorial slightly less confusing. tree | commitdiff
2012-09-03 KassonMerge "Document correct comm_mode option" into release... tree | commitdiff
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-08-28 Mark AbrahamDocument correct comm_mode option tree | commitdiff
2012-08-22 Bogdan IorgaAdded PGLU entry in aminoacids.n.tdb for OPLS-AA. tree | commitdiff
2012-08-20 Christoph JunghansMerge "Fixing of things associated with aminoacid.rtp... tree | commitdiff
2012-08-11 Mark AbrahamFixing of things associated with aminoacid.rtp header tree | commitdiff
2012-08-10 Mark AbrahamAdded TIP4P back into CHARMM27 tree | commitdiff
2012-08-05 Roland SchulzRemove share/tutor tree | commitdiff
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD tree | commitdiff
2012-07-05 Christoph JunghansMerge "Don't rerun checks and be quiet 2nd time cmake... tree | commitdiff
2012-07-05 Christoph JunghansMerge "Allow also FindMPI for cmake<2.8.5" into release-4-6 tree | commitdiff
2012-07-05 Christoph JunghansMerge "Finalized and extended Szilard's openMP cleanup... tree | commitdiff
2012-07-04 Roland SchulzMerge "Add FindGROMACS.cmake to template's CMakeLists... tree | commitdiff
2012-07-04 Roland SchulzMerge "Fixed bug in free energy calculation for Morse... tree | commitdiff
2012-07-04 Berk Hessset default for rcoulomb, rvdw and rlist to -1 tree | commitdiff
2012-06-29 Christoph JunghansAdd FindGROMACS.cmake to template's CMakeLists.txt tree | commitdiff
2012-06-26 Roland SchulzMerge "Fix gmx_fatal for serial compilation" into relea... tree | commitdiff
2012-06-24 Christoph JunghansMerge "Remove MPI define for FAH" into release-4-6 tree | commitdiff
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble... tree | commitdiff
2012-06-24 Roland SchulzFix mdp_opt formatting of expanded ensemble tree | commitdiff
2012-06-04 Michael ShirtsMerging in free energy, exp. ensemble, & andersen t... tree | commitdiff
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6 tree | commitdiff
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-26 Szilard PallCorrected fourierspacing description tree | commitdiff
2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c tree | commitdiff
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun... tree | commitdiff
2012-04-16 Roland SchulzMerge "changed default for nstxout, nstvout and nstlog... tree | commitdiff
2012-04-16 Berk Hesschanged default for nstxout, nstvout and nstlog tree | commitdiff
2012-04-09 Christoph JunghansMerge "Documentation and error message enhancements... tree | commitdiff
2012-04-09 Mark AbrahamLots of manual updates tree | commitdiff
2012-04-09 Christoph JunghansMerge "Consolidated documentation of .mdp restraint... tree | commitdiff
2012-04-09 Mark AbrahamConsolidated documentation of .mdp restraint options tree | commitdiff
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-03-18 David van der SpoelMerge "Fix typo in Clang CFlags" into release-4-5-patches tree | commitdiff
2012-03-18 David van der SpoelMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-03-15 Christoph JunghansMerge "Clarified wording of documentation" into release... tree | commitdiff
2012-03-15 Mark AbrahamClarified wording of documentation tree | commitdiff
2012-03-13 Christoph JunghansMerge "Vibration spectra from velocity ACF or Normal... tree | commitdiff
2012-03-09 Roland SchulzMerge "Improve FindFFTW" into release-4-6 tree | commitdiff
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-02-25 David van der SpoelMerge "Minor formatting fixes to .mdp option documentat... tree | commitdiff
2012-02-24 Mark AbrahamMinor formatting fixes to .mdp option documentation tree | commitdiff
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-21 Christoph JunghansMerge "changed default epsilon-rf value to 0" into... tree | commitdiff
2012-02-20 Berk Hesschanged default epsilon-rf value to 0 tree | commitdiff
2012-02-08 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-08 Christoph JunghansMerge "fixed confusing nonbonded kernel pointer initial... tree | commitdiff
2012-02-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-03 David van der SpoelMerge "Improved the accuracy of the sd1 integrator... tree | commitdiff
2012-02-02 Szilárd PállMerge "Merges in threading branch as one squashed commi... tree | commitdiff
2012-02-02 Berk HessImproved the accuracy of the sd1 integrator tree | commitdiff
2012-02-01 David van der SpoelMerge "g_sans - tool to compute SANS spectra" into... tree | commitdiff
2012-01-25 Alexey Shvetsovg_sans - tool to compute SANS spectra tree | commitdiff
2012-01-25 Roland SchulzMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-01-25 Berk HessMerge "Added two new bonded functions." into release-4-6 tree | commitdiff
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