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2010-11-05	Carsten Kutzner	Flexible RMSD fitting is now optionally mass-weighted	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Print warning when reference file is set but could...	commit \| commitdiff \| tree
2010-11-05	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Doxygen comment for dd_make_local_rotation_groups	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Merge branch 'release-4-5-patches' into rotation-4-5	commit \| commitdiff \| tree
2010-11-04	Carsten Kutzner	Updated normalization factor	commit \| commitdiff \| tree
2010-10-29	Carsten Kutzner	Fixed segv in gmx_hbond	commit \| commitdiff \| tree
2010-10-22	Carsten Kutzner	Fixed segv in g_potential. Field output has now also...	commit \| commitdiff \| tree
2010-01-26	Carsten Kutzner	Fixed segv in make_edi when no reference structure...	commit \| commitdiff \| tree
2010-01-26	Carsten Kutzner	Fixed segv in make_edi when no reference structure...	commit \| commitdiff \| tree
2010-01-21	Carsten Kutzner	Enforced rotation: more rigorous calculation of ref...	commit \| commitdiff \| tree
2010-01-20	Carsten Kutzner	Enforced rotation: Details & Documentation in .h	commit \| commitdiff \| tree
2010-01-19	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-01-19	Carsten Kutzner	Enforced rotation: added reference positions to tpr...	commit \| commitdiff \| tree
2010-01-18	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-01-18	Carsten Kutzner	Resubmitted changes that were accidentally undone by...	commit \| commitdiff \| tree
2010-01-15	Carsten Kutzner	Removed unnecessary declaration in edsam.h	commit \| commitdiff \| tree
2010-01-15	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-01-15	Carsten Kutzner	Enforced rotation: use gmx_angle to output angle of...	commit \| commitdiff \| tree
2010-01-14	Carsten Kutzner	Enforced rotation now uses the routines in groupcoord.c	commit \| commitdiff \| tree
2010-01-13	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-01-13	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2010-01-13	Carsten Kutzner	Enforced rotation: prepare pull_rotation to be able...	commit \| commitdiff \| tree
2010-01-13	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-01-13	Carsten Kutzner	Moved routines that collect group coords for comparison...	commit \| commitdiff \| tree
2010-01-11	Carsten Kutzner	Enforced rotation: Fixed axis now can follow the COM...	commit \| commitdiff \| tree
2009-12-21	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-21	Carsten Kutzner	Essential dynamics: fixed segfault when using sd2 integrator	commit \| commitdiff \| tree
2009-12-21	Carsten Kutzner	Essential dynamics: fixed segfault when using sd2 integrator	commit \| commitdiff \| tree
2009-12-09	Carsten Kutzner	Enforced rotation: Make g_tune_pme aware of rotation...	commit \| commitdiff \| tree
2009-11-30	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-11-30	Carsten Kutzner	Enforced rotation: changed mdrun switch -r to -ro to...	commit \| commitdiff \| tree
2009-11-30	Carsten Kutzner	g_tune_pme now does proper cleanup also with pull simulations	commit \| commitdiff \| tree
2009-11-24	Carsten Kutzner	Enforced rotation: fixed calculation of relevant slabs	commit \| commitdiff \| tree
2009-11-24	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-11-20	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-11-20	Carsten Kutzner	Enforced rotation: details	commit \| commitdiff \| tree
2009-10-23	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-10-21	Carsten Kutzner	g_tune_pme now also accepts < 3 nodes, also outputs...	commit \| commitdiff \| tree
2009-10-14	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-10-14	Carsten Kutzner	Enforced rotation: moved all helper variables of inputrec...	commit \| commitdiff \| tree
2009-10-12	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-10-12	Carsten Kutzner	cycle counters can now be reset by a (hidden) mdrun...	commit \| commitdiff \| tree
2009-09-22	Carsten Kutzner	Enforced rotation: smarter way to determine relevant...	commit \| commitdiff \| tree
2009-09-21	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-09-21	Carsten Kutzner	Enforced rotation: Another minor optimization in do_flex...	commit \| commitdiff \| tree
2009-09-18	Carsten Kutzner	Enforced rotation: Minor performance optimization in...	commit \| commitdiff \| tree
2009-09-16	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-09-16	Carsten Kutzner	Fixed format conversions in gmx_tune_pme.c	commit \| commitdiff \| tree
2009-09-15	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-09-15	Carsten Kutzner	Enforced rotation: new type 'followplane', plus fixed...	commit \| commitdiff \| tree
2009-09-07	Carsten Kutzner	Edsam: Added the possibility to flood towards a certain...	commit \| commitdiff \| tree
2009-09-03	Carsten Kutzner	Enforced rotation: made fit type controllable by mdp...	commit \| commitdiff \| tree
2009-09-03	Carsten Kutzner	Merge branch 'master' into rotation	commit \| commitdiff \| tree
2009-09-03	Carsten Kutzner	Enforced rotation: rotation output file names can now...	commit \| commitdiff \| tree
2009-09-02	Carsten Kutzner	Enforced rotation: added type 'fixedplane'	commit \| commitdiff \| tree
2009-08-28	Carsten Kutzner	Enforced rotation: simplified calculations in do_flex_lowlevel	commit \| commitdiff \| tree
2009-08-24	Carsten Kutzner	Merged in changes from master branch	commit \| commitdiff \| tree
2009-08-24	Carsten Kutzner	Renamed rotation.{c,h} to pull_rotation	commit \| commitdiff \| tree
2009-08-20	Carsten Kutzner	Clearer output when multiple groups are rotated	commit \| commitdiff \| tree
2009-08-20	Carsten Kutzner	Fixed calculation of nslabs in reduce_output when multiple...	commit \| commitdiff \| tree
2009-08-20	Carsten Kutzner	Removed // style comments	commit \| commitdiff \| tree
2009-08-20	Carsten Kutzner	Initial commit of enforced rotation add-on	commit \| commitdiff \| tree
2009-08-20	Carsten Kutzner	Started new branch 'rotation' for enforced rotation...	commit \| commitdiff \| tree
2009-08-11	Carsten Kutzner	Fixed uninitialized variable in gmx_tune_pme.c	commit \| commitdiff \| tree
2009-07-30	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-07-29	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-07-28	Carsten Kutzner	set init_step on pme only nodes when counter resetting...	commit \| commitdiff \| tree
2009-07-27	Carsten Kutzner	Counter resetting also on the PME only nodes	commit \| commitdiff \| tree
2009-07-16	Carsten Kutzner	Check md.log to ensure GMX_RESET_COUNTERS was passed...	commit \| commitdiff \| tree
2009-07-15	Carsten Kutzner	Check whether mpirun accepts -x option	commit \| commitdiff \| tree
2009-07-15	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-07-15	Carsten Kutzner	Several improvements to gmx_tune_pme	commit \| commitdiff \| tree
2009-07-07	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-07-07	Carsten Kutzner	Removed unused m_rvec* functions in vec.h (unneeded...	commit \| commitdiff \| tree
2009-07-07	Carsten Kutzner	Made the optional GMX_BARRIERS work with separate PME...	commit \| commitdiff \| tree
2009-07-06	Carsten Kutzner	Output the correct number of files in read_tpr_pullxf_files	commit \| commitdiff \| tree
2009-06-23	Carsten Kutzner	Fixed check_oo memory corruption problem	commit \| commitdiff \| tree
2009-06-22	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-06-19	Carsten Kutzner	Removed all static variables in edsam.c	commit \| commitdiff \| tree

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