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Added the -fix option to g_tune_pme for tuning of rcoulomb and grid
2011-02-25
Carsten Kutzner
Added the -fix option to g_tune_pme for tuning of rcoulomb...
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2011-02-16
Carsten Kutzner
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-02-16
Carsten Kutzner
Fixed int overflow happening in genion when number...
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2011-01-04
ckutzne
Fixed inconvenient output file names if -sep is used...
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2010-12-02
ckutzne
Fixed typo.
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2010-10-29
Carsten Kutzner
Fixed segv in gmx_hbond
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2010-10-22
Carsten Kutzner
Fixed segv in g_potential. Field output has now also...
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2010-01-26
Carsten Kutzner
Fixed segv in make_edi when no reference structure...
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2010-01-26
Carsten Kutzner
Fixed segv in make_edi when no reference structure...
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2010-01-18
Carsten Kutzner
Resubmitted changes that were accidentally undone by...
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-13
Carsten Kutzner
Moved routines that collect group coords for comparison...
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2009-12-21
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integrator
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integrator
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2009-11-30
Carsten Kutzner
g_tune_pme now does proper cleanup also with pull simulations
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2009-10-21
Carsten Kutzner
g_tune_pme now also accepts < 3 nodes, also outputs...
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2009-10-12
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Carsten Kutzner
cycle counters can now be reset by a (hidden) mdrun...
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2009-09-16
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-16
Carsten Kutzner
Fixed format conversions in gmx_tune_pme.c
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2009-09-07
Carsten Kutzner
Edsam: Added the possibility to flood towards a certain...
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2009-08-11
Carsten Kutzner
Fixed uninitialized variable in gmx_tune_pme.c
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2009-07-30
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-29
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-28
Carsten Kutzner
set init_step on pme only nodes when counter resetting...
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2009-07-27
Carsten Kutzner
Counter resetting also on the PME only nodes
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2009-07-16
Carsten Kutzner
Check md.log to ensure GMX_RESET_COUNTERS was passed...
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2009-07-15
Carsten Kutzner
Check whether mpirun accepts -x option
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2009-07-15
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-15
Carsten Kutzner
Several improvements to gmx_tune_pme
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2009-07-07
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-07
Carsten Kutzner
Removed unused m_rvec* functions in vec.h (unneeded...
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2009-07-07
Carsten Kutzner
Made the optional GMX_BARRIERS work with separate PME...
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2009-07-06
Carsten Kutzner
Output the correct number of files in read_tpr_pullxf_files
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2009-06-23
Carsten Kutzner
Fixed check_oo memory corruption problem
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2009-06-22
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-06-19
Carsten Kutzner
Removed all static variables in edsam.c
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