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Merge branch release-5-0 into release-5-1
2015-07-15 Carsten KutznerRemoved information about obsolete .edo file format
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2014-12-09 Carsten KutznerMake tune_pme understand the "-nsteps" option. Fixes...
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2014-12-08 Carsten KutznerFixed a typo in the manual.
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2014-11-12 Carsten KutznerUpdated some .mdp file variables to use "-" instead...
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2014-10-20 Carsten KutznerFix order of ED/swap blocks during checkpoint reading.
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2014-10-01 Carsten KutznerAllow gmx tune_pme to skip the check for command-line...
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2014-08-15 Carsten KutznerFixed output of eigenvalues in g_covar. Fixes #1575
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2014-06-27 Carsten KutznerRemove obsolete pull-geometry option 'position' from...
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2014-04-10 Carsten KutznerRe-use gmx_within_tol from math/utilities instead of...
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2014-03-31 Carsten KutznerFix documentation of swap/enums.h
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2014-03-28 Carsten KutznerFix documentation issues for interactive MD module.
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2014-03-26 Carsten KutznerDocumentation house-keeping in file swapcoords.c
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2014-03-14 Carsten KutznerAvoid cross product with zero vector in rotational...
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2014-03-14 Carsten KutznerThe van der Waals radius must equal the Coulomb radius...
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2014-02-16 Carsten KutznerSmall enhancement of computational electrophysiology...
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2014-01-28 Carsten KutznerAllow for "computational electrophysiology" simulations...
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2014-01-13 Carsten KutznerMove pull code to separate subdirectory
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2014-01-11 Carsten KutznerMove essential dynamics / flooding code to separate...
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2014-01-10 Carsten KutznerRead essential dynamics data from checkpoint at correct...
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2014-01-05 Carsten KutznerRemoved a few typos in three German quotes.
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2013-12-26 Carsten KutznerPass on default value of radstep in make_edi
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2013-12-25 Carsten KutznerEssential dynamics: move bNeedDoEdsam evaluation to...
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2013-12-23 Carsten KutznerFixed essential dynamics (ED) continuation from .cpt...
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2013-08-01 Carsten KutznerProperly finalize MPI on mdrun -version. Fixes #1313
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2013-06-26 Carsten KutznerFixed -npstring command line argument in g_tune_pme
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2013-05-28 Carsten KutznerFixed calculation of slab buffer size for flexible...
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2013-05-28 Carsten KutznerFix for a rare condition in flexible rotation potentials.
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2013-05-27 Carsten KutznerCode cleanup in enforced rotation module, remove warnings.
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2013-05-16 Carsten KutznerChoose the PBC image of each rotation group atom depending
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2013-04-29 Carsten KutznerEvaluate enforced rotation potenial with Verlet, fixes...
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2013-03-08 Carsten KutznerEssential dynamics: fixed legend in ED .xvg output...
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2013-02-18 Carsten KutznerMade g_tune_pme work with 4.6 if user sets "-p" command...
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2013-02-13 Carsten KutznerFixed the MPI recognition string in g_tune_pme
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2013-01-22 Carsten KutznerMoved a few comments back into position
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2013-01-17 Carsten KutznerAdded note about make_edi and flooding in ED paragraph
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2013-01-16 Carsten KutznerMade g_tune_pme work correctly again with thread-MPI...
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2013-01-14 Carsten KutznerEssential dynamics output file now in .xvg format
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2012-12-20 Carsten KutznerSmall fix for g_tune_pme
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2012-12-20 Carsten KutznerEssential dynamics: fixed restarts when ED group has...
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2012-11-06 Carsten KutznerMade g_tune_pme work correctly when ir->init_step > 0
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2012-10-16 Carsten KutznerMade g_tune_pme read (ns/day) from 4.6 md.log output...
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2012-10-16 Carsten KutznerRemoved obsolete hint in error message.
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2012-08-07 Carsten KutznerFixed essential dynamics / flooding group PBC serial
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2012-08-06 Carsten KutznerFixed calculation of projection for STAR and/or SORI
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2012-08-06 Carsten KutznerAdded comment in get_structure about which structures...
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2012-08-03 Carsten KutznerFixed segv in essential dynamics module
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2012-07-06 Carsten KutznerEnforced rotation: PBC/restart fix
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2012-06-11 Carsten KutznerSmall fix for g_tune_pme
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2012-05-23 Carsten KutznerRevised g_tune_pme
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2012-03-09 Carsten KutznerMerge "Improved warning note with DD and periodic molecules...
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2012-01-23 Carsten KutznerNew tool that extracts dye dynamics from trajectories
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2011-12-20 Carsten KutznerAdded -dhdl to tpr file list, fixes #855
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2011-12-19 Carsten KutznerEnforced rotation
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2011-11-22 Carsten KutznerActually -cpi and -bcpo must not be identical
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2011-10-31 Carsten KutznerFixed bug #830 (segv in do_dssp)
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2011-08-31 Carsten KutznerRemove segv in xpm2ps, fixes #611
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2011-08-26 Carsten KutznerRemove segv in xpm2ps, fixes #611
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2011-08-25 Carsten KutznerInstead of a segv, mdrun now gives an error msg if...
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2011-08-02 Carsten KutznerTypo.
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2011-07-29 Carsten KutznerFixed calculation of max and min number of PME-only...
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2011-07-11 Carsten KutznerRemoved old-fashioned MPE logging code
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2011-07-11 Carsten KutznerAdded two missing headers
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2011-07-06 Carsten KutznerAdded globsig.h to include/types/Makefile.am
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2011-05-30 Carsten KutznerFlooding as harm. restraint: Abort when origin position...
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2011-03-30 Carsten KutznerChecks for zero-mass atoms in ED, better ordering of...
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2011-03-03 Carsten KutznerFixed wrong error message when using flooding code...
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2011-03-01 Carsten KutznerFixed bug #714: deprecated structure in gettimeofday
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2011-02-25 Carsten KutznerCorrected output of a warning message.
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2011-02-25 Carsten KutznerAdded the -fix option to g_tune_pme for tuning of rcoulomb...
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2011-02-17 Carsten KutznerEnforced rotation: fix compiler warning
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2011-02-16 Carsten KutznerMerge branch 'release-4-5-patches'
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2011-02-16 Carsten KutznerMerge branch 'release-4-5-patches' of git.gromacs.org...
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2011-02-16 Carsten KutznerFixed int overflow happening in genion when number...
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2011-01-13 Carsten KutznerEnforced rotation: added fit type 'potential'
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2011-01-04 Carsten KutznerMerge branch 'release-4-5-patches'
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2010-12-02 Carsten KutznerMerge branch 'release-4-5-patches'
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2010-11-30 Carsten KutznerMerge branch 'master' of git.gromacs.org:gromacs
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2010-11-26 Carsten KutznerEnforced rotation: fixed torque calculation for FLEX...
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2010-11-23 Carsten KutznerMerge branch 'master' of git.gromacs.org:gromacs
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2010-11-23 Carsten KutznerEnforced rotation: code cleanup
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2010-11-18 Carsten KutznerBetter description of rotation options
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2010-11-17 Carsten KutznerRemoved unnecessary include
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2010-11-17 Carsten KutznerMerge branch 'rotation'
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2010-11-17 Carsten KutznerMerge branch 'release-4-5-patches'
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2010-11-15 Carsten KutznerMerge branch 'rotation-4-5' into rotation
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2010-11-15 Carsten KutznerEnforced rotation: define Gaussian norm
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2010-11-15 Carsten KutznerMerge branch 'rotation-4-5' into rotation
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2010-11-15 Carsten KutznerEnforced rotation: use the right tpx_version
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2010-11-15 Carsten KutznerEnforced rotation: set the right tpx_version
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2010-11-15 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5
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2010-11-08 Carsten KutznerMerge branch 'master' into rotation
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2010-11-08 Carsten KutznerMerge branch 'rotation-4-5' into rotation
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2010-11-08 Carsten KutznerEnforced rotatin: Put in check for acos value; enhanced...
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2010-11-08 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5
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2010-11-05 Carsten KutznerMerge branch 'rotation-4-5' into rotation
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2010-11-05 Carsten KutznerFlexible RMSD fitting is now optionally mass-weighted
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2010-11-05 Carsten KutznerPrint warning when reference file is set but could...
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2010-11-05 Carsten KutznerMerge branch 'release-4-5-patches' into rotation-4-5
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2010-11-04 Carsten KutznerMerge branch 'rotation-4-5' into rotation
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2010-11-04 Carsten KutznerDoxygen comment for dd_make_local_rotation_groups
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