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2010-10-22	Carsten Kutzner	Fixed segv in g_potential. Field output has now also...	commit \| commitdiff \| tree
2010-09-21	Carsten Kutzner	Added missing #ifdef around MPI directive	commit \| commitdiff \| tree
2010-09-20	Carsten Kutzner	gmx_pme_error now uses at most all charges for the...	commit \| commitdiff \| tree
2010-09-17	Carsten Kutzner	Fixed reproducibility of g_pme_error results in parallel	commit \| commitdiff \| tree
2010-09-14	Carsten Kutzner	Removed unused code from g_pme_error	commit \| commitdiff \| tree
2010-09-01	Carsten Kutzner	Fixed make_edi when no fitting was done in g_covar	commit \| commitdiff \| tree
2010-07-22	Carsten Kutzner	Removed // comment in qm_orca.c	commit \| commitdiff \| tree
2010-07-14	Carsten Kutzner	Fixed several minor issues in ED/flooding module	commit \| commitdiff \| tree
2010-07-12	Carsten Kutzner	g_tune_pme now recalculates scaling factors from actual...	commit \| commitdiff \| tree
2010-06-29	Carsten Kutzner	add -cpnum support to g_tune_pme	commit \| commitdiff \| tree
2010-06-28	Carsten Kutzner	moved error-check after logfile parsing	commit \| commitdiff \| tree
2010-06-25	Carsten Kutzner	Parse stderr of tuning runs to catch fatal errors which...	commit \| commitdiff \| tree
2010-06-25	Carsten Kutzner	hidden -passall option can be used to add extra strings...	commit \| commitdiff \| tree
2010-06-24	Carsten Kutzner	speed up tuning for large numbers of processes	commit \| commitdiff \| tree
2010-06-24	Carsten Kutzner	try to avoid weird PME/PP combinations in g_tune_pme	commit \| commitdiff \| tree
2010-06-22	Carsten Kutzner	g_tune_pme now also updates rlistlong etc.	commit \| commitdiff \| tree
2010-06-21	Carsten Kutzner	g_tune_pme: add option to choose how nprocs is passed...	commit \| commitdiff \| tree
2010-06-17	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-17	Carsten Kutzner	fixed tuning for loadleveler and updated it to modified...	commit \| commitdiff \| tree
2010-06-16	Carsten Kutzner	fixed g_tune_pme for the use with IBM's poe	commit \| commitdiff \| tree
2010-06-08	Carsten Kutzner	fixed continuation runs with essential dynamics	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	removed todo item	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed tuning with checkpoint files	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed file appending for essential dynamics output...	commit \| commitdiff \| tree
2010-06-04	Carsten Kutzner	fixed -deffnm option for g_tune_pme	commit \| commitdiff \| tree
2010-04-23	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-04-23	Carsten Kutzner	fixed segv's in gmx_cluster when used with xpm input...	commit \| commitdiff \| tree
2010-02-03	Carsten Kutzner	Updated edsam.h	commit \| commitdiff \| tree
2010-02-03	Carsten Kutzner	Removed useless code in dd_make_local_group_indices	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
2010-01-18	Carsten Kutzner	Resubmitted changes that were accidentally undone by...	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
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
2009-11-30	Carsten Kutzner	g_tune_pme now does proper cleanup also with pull simulations	commit \| commitdiff \| tree
2009-10-21	Carsten Kutzner	g_tune_pme now also accepts < 3 nodes, also outputs...	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
2009-09-16	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
2009-09-07	Carsten Kutzner	Edsam: Added the possibility to flood towards a certain...	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

The ultimate molecular dynamics simulation package

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