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Enforced rotation: added fit type 'potential'
[alexxy/gromacs.git] / src /
2011-01-13 Carsten KutznerEnforced rotation: added fit type 'potential' tree | commitdiff
2011-01-10 Teemu MurtolaAdded a C++ template for analysis tools. tree | commitdiff
2011-01-09 Teemu MurtolaMoved protonate and tpbconv to src/programs/. tree | commitdiff
2011-01-09 Teemu MurtolaRemoved libgmxpreprocess from CMake. tree | commitdiff
2011-01-09 Teemu MurtolaMoved x2top, gmxcheck and gmxdump to src/programs/. tree | commitdiff
2011-01-09 Teemu MurtolaMoved pdb2gmx from src/kernel/ to src/programs/pdb2gmx/. tree | commitdiff
2011-01-09 Teemu MurtolaMoved grompp from src/kernel/ to src/programs/grompp/. tree | commitdiff
2011-01-09 Teemu MurtolaMoved mdrun from src/kernel/ to src/programs/mdrun/. tree | commitdiff
2011-01-04 Carsten KutznerMerge branch 'release-4-5-patches' tree | commitdiff
2011-01-04 ckutzneFixed inconvenient output file names if -sep is used... tree | commitdiff
2011-01-04 Berk Hessfixed grompp looking for include files in double relati... tree | commitdiff
2011-01-03 Teemu MurtolaMerge branch 'cpp-migration' tree | commitdiff
2011-01-03 Teemu MurtolaAdded g_select for the new framework. tree | commitdiff
2010-12-26 Teemu MurtolaRemoved an obsolete file. tree | commitdiff
2010-12-26 Teemu MurtolaFixed issues with header installation. tree | commitdiff
2010-12-26 Teemu MurtolaMerge branch 'cpp-analysis' tree | commitdiff
2010-12-26 Teemu MurtolaMerge commit '0e52c9073c31ddc1cdc23f0cbf867ad1c9e72524... tree | commitdiff
2010-12-26 Teemu MurtolaMoved selection and trajana modules to src/gromacs/. tree | commitdiff
2010-12-26 Teemu MurtolaMerge commit '4d39dbdaa88b63df182fb3ca1d9133f2809277c1... tree | commitdiff
2010-12-26 Teemu MurtolaMerge branch 'release-4-5-patches' tree | commitdiff
2010-12-26 Teemu MurtolaDeleted leftover files from the migration. tree | commitdiff
2010-12-26 Teemu MurtolaRemoved autoconf files from moved directories. tree | commitdiff
2010-12-23 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-12-23 David van der SpoelFixed bug in statistics which did not allow fitting... tree | commitdiff
2010-12-22 Berk Hessremoved incorrect citation print of Engin2010 for pull... tree | commitdiff
2010-12-21 Berk Hesspme.c work-around for MPI fatal error in pme with partt... tree | commitdiff
2010-12-16 Berk Hessfixed incorrect LJ table in mdrun with reppow!=12 tree | commitdiff
2010-12-16 Berk Hessremoved editconf warning on box distance with -bt tree | commitdiff
2010-12-13 Berk Hessfixed tpbconv time options leading to negative nsteps... tree | commitdiff
2010-12-11 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-12-11 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-12-11 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-12-11 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-12-09 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-12-09 David van der SpoelAdded fatal error for when people use energy files... tree | commitdiff
2010-12-06 Mark AbrahamAdded comments and workaround for IBM's BlueGene(/L... tree | commitdiff
2010-12-02 Carsten KutznerMerge branch 'release-4-5-patches' tree | commitdiff
2010-11-30 Carsten KutznerMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-11-30 ckutzneProper appending with enforced rotation output files. tree | commitdiff
2010-11-28 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-11-28 David van der SpoelFixed bugzilla 616 about formatting in the help text. tree | commitdiff
2010-11-26 David van der SpoelFixed SEGV bug in g_sham. tree | commitdiff
2010-11-26 Carsten KutznerEnforced rotation: fixed torque calculation for FLEX... tree | commitdiff
2010-11-24 Berk Hessfixed segv in grompp due to gmxcpp not checking for... tree | commitdiff
2010-11-23 Carsten KutznerMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-11-23 Carsten KutznerEnforced rotation: code cleanup tree | commitdiff
2010-11-22 Mark AbrahamAdded a hint to the documentation for creating .tpr... tree | commitdiff
2010-11-19 ckutzneFixed segv in gmx_pme_error when gromacs compiled with... tree | commitdiff
2010-11-18 David van der SpoelMade printing in check_multi_init conditional, dependin... tree | commitdiff
2010-11-18 Carsten KutznerBetter description of rotation options tree | commitdiff
2010-11-17 Teemu MurtolaMoved src/gmxlib/ to src/gromacs/gmxlib/. tree | commitdiff
2010-11-17 Teemu MurtolaMoved src/mdlib/ to src/gromacs/mdlib/. tree | commitdiff
2010-11-17 Teemu MurtolaMoved include/ to src/gromacs/legacyheaders/. tree | commitdiff
2010-11-17 Carsten KutznerRemoved unnecessary include tree | commitdiff
2010-11-17 Carsten KutznerMerge branch 'rotation' tree | commitdiff
2010-11-17 Carsten KutznerMerge branch 'release-4-5-patches' tree | commitdiff
2010-11-15 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-15 Carsten KutznerEnforced rotation: define Gaussian norm tree | commitdiff
2010-11-15 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-15 Carsten KutznerEnforced rotation: use the right tpx_version tree | commitdiff
2010-11-15 Carsten KutznerEnforced rotation: set the right tpx_version tree | commitdiff
2010-11-15 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5 tree | commitdiff
2010-11-12 Mark AbrahamMinor trjconv documentation formatting fix tree | commitdiff
2010-11-12 Mark Abrahamg_densmap -od writes a .dat file and prevents writing... tree | commitdiff
2010-11-09 Berk Hessadded -resnr option to editconf tree | commitdiff
2010-11-09 Berk Hessfixed compiler warning in pdb2gmx.c tree | commitdiff
2010-11-08 Roland Schulzmaking error message for vmdio clearer (bug 598) tree | commitdiff
2010-11-08 Rossen ApostolovAdded support for Altivec kernels on POWERPC. tree | commitdiff
2010-11-08 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-11-08 Carsten KutznerMerge branch 'master' into rotation tree | commitdiff
2010-11-08 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-08 Carsten KutznerEnforced rotatin: Put in check for acos value; enhanced... tree | commitdiff
2010-11-08 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5 tree | commitdiff
2010-11-07 Mark AbrahamMade mdrun exit with a fatal error for EM or NM with... tree | commitdiff
2010-11-06 Mark AbrahamFixed .xvg legends for g_sas options -or and -oa tree | commitdiff
2010-11-05 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-11-05 Teemu MurtolaMerge branch 'release-4-5-patches' tree | commitdiff
2010-11-05 David van der SpoelFixed compilation issue. tree | commitdiff
2010-11-05 David van der SpoelFixed compilation issue. tree | commitdiff
2010-11-05 David van der SpoelAdded flag to gmx_stats_get_point tree | commitdiff
2010-11-05 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-05 Carsten KutznerFlexible RMSD fitting is now optionally mass-weighted tree | commitdiff
2010-11-05 Carsten KutznerPrint warning when reference file is set but could... tree | commitdiff
2010-11-05 Berk Hesspdb2gmx now puts atoms with cgnr=-1 in separate charge... tree | commitdiff
2010-11-05 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5 tree | commitdiff
2010-11-04 Roland Schulzprint more information in case of lock error tree | commitdiff
2010-11-04 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-04 Carsten KutznerDoxygen comment for dd_make_local_rotation_groups tree | commitdiff
2010-11-04 Berk HessFixed md.log being opened twice when appending, which... tree | commitdiff
2010-11-04 Carsten KutznerMerge branch 'master' into rotation tree | commitdiff
2010-11-04 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5 tree | commitdiff
2010-11-04 Carsten KutznerMerge branch 'rotation-4-5' into rotation tree | commitdiff
2010-11-04 Carsten KutznerUpdated normalization factor tree | commitdiff
2010-11-04 hessclarified GB parameter error messages in grompp tree | commitdiff
2010-11-02 Berk Hessfixed incorrect print in fatal error on charge group... tree | commitdiff
2010-11-02 Berk Hessproper defined of MAX_CHARGEGROUP_SIZE=32 in a single... tree | commitdiff
2010-11-02 David van der SpoelFixed bug 608 by throwing a fatal error in grompp. tree | commitdiff
2010-11-02 Sander PronkFixed double precision energy file reading + box matrix... tree | commitdiff
2010-10-30 Rossen ApostolovFor MPI builds, CMake will first try to compile a sampl... tree | commitdiff
2010-10-30 Sander PronkAdded Windows macro for snprintf. tree | commitdiff
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