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Remove segv in xpm2ps, fixes #611
2011-08-26
Carsten Kutzner
Remove segv in xpm2ps, fixes #611
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2011-07-11
Carsten Kutzner
Removed old-fashioned MPE logging code
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2011-05-30
Carsten Kutzner
Flooding as harm. restraint: Abort when origin position...
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2011-03-30
Carsten Kutzner
Checks for zero-mass atoms in ED, better ordering of...
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2011-03-03
Carsten Kutzner
Fixed wrong error message when using flooding code...
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2011-03-01
Carsten Kutzner
Fixed bug #714: deprecated structure in gettimeofday
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2011-02-25
Carsten Kutzner
Corrected output of a warning message.
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2011-02-25
Carsten Kutzner
Added the -fix option to g_tune_pme for tuning of rcoulomb...
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2011-02-17
Carsten Kutzner
Enforced rotation: fix compiler warning
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2011-02-16
Carsten Kutzner
Merge branch 'release-4-5-patches'
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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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2011-01-13
Carsten Kutzner
Enforced rotation: added fit type 'potential'
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2011-01-04
Carsten Kutzner
Merge branch 'release-4-5-patches'
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2011-01-04
ckutzne
Fixed inconvenient output file names if -sep is used...
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2010-12-02
Carsten Kutzner
Merge branch 'release-4-5-patches'
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2010-12-02
ckutzne
Fixed typo.
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2010-11-30
Carsten Kutzner
Merge branch 'master' of git.gromacs.org:gromacs
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2010-11-30
ckutzne
Proper appending with enforced rotation output files.
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2010-11-26
Carsten Kutzner
Enforced rotation: fixed torque calculation for FLEX...
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2010-11-23
Carsten Kutzner
Merge branch 'master' of git.gromacs.org:gromacs
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2010-11-23
Carsten Kutzner
Enforced rotation: code cleanup
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2010-11-19
ckutzne
Fixed segv in gmx_pme_error when gromacs compiled with...
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2010-11-18
Carsten Kutzner
Better description of rotation options
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2010-11-17
Carsten Kutzner
Removed unnecessary include
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2010-11-17
Carsten Kutzner
Merge branch 'rotation'
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2010-11-17
Carsten Kutzner
Merge branch 'release-4-5-patches'
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2010-11-15
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-15
Carsten Kutzner
Enforced rotation: define Gaussian norm
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2010-11-15
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-15
Carsten Kutzner
Enforced rotation: use the right tpx_version
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2010-11-15
Carsten Kutzner
Enforced rotation: set the right tpx_version
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2010-11-15
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-08
Carsten Kutzner
Merge branch 'master' into rotation
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2010-11-08
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-08
Carsten Kutzner
Enforced rotatin: Put in check for acos value; enhanced...
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2010-11-08
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-05
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-05
Carsten Kutzner
Flexible RMSD fitting is now optionally mass-weighted
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2010-11-05
Carsten Kutzner
Print warning when reference file is set but could...
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2010-11-05
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-04
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-04
Carsten Kutzner
Doxygen comment for dd_make_local_rotation_groups
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2010-11-04
Carsten Kutzner
Merge branch 'master' into rotation
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2010-11-04
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-04
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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2010-11-04
Carsten Kutzner
Updated normalization factor
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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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2010-01-21
Carsten Kutzner
Enforced rotation: more rigorous calculation of ref...
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2010-01-20
Carsten Kutzner
Enforced rotation: Details & Documentation in .h
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2010-01-19
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-19
Carsten Kutzner
Enforced rotation: added reference positions to tpr...
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2010-01-18
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-18
Carsten Kutzner
Resubmitted changes that were accidentally undone by...
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2010-01-15
Carsten Kutzner
Removed unnecessary declaration in edsam.h
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2010-01-15
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-15
Carsten Kutzner
Enforced rotation: use gmx_angle to output angle of...
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2010-01-14
Carsten Kutzner
Enforced rotation now uses the routines in groupcoord.c
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Enforced rotation: prepare pull_rotation to be able...
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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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2010-01-11
Carsten Kutzner
Enforced rotation: Fixed axis now can follow the COM...
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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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2009-12-09
Carsten Kutzner
Enforced rotation: Make g_tune_pme aware of rotation...
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2009-11-30
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-30
Carsten Kutzner
Enforced rotation: changed mdrun switch -r to -ro to...
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2009-11-30
Carsten Kutzner
g_tune_pme now does proper cleanup also with pull simulations
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2009-11-24
Carsten Kutzner
Enforced rotation: fixed calculation of relevant slabs
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2009-11-24
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-20
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-20
Carsten Kutzner
Enforced rotation: details
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2009-10-23
Carsten Kutzner
Merge branch 'master' into rotation
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2009-10-21
Carsten Kutzner
g_tune_pme now also accepts < 3 nodes, also outputs...
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2009-10-14
Carsten Kutzner
Merge branch 'master' into rotation
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2009-10-14
Carsten Kutzner
Enforced rotation: moved all helper variables of inputrec...
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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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2009-09-22
Carsten Kutzner
Enforced rotation: smarter way to determine relevant...
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2009-09-21
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-21
Carsten Kutzner
Enforced rotation: Another minor optimization in do_flex...
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2009-09-18
Carsten Kutzner
Enforced rotation: Minor performance optimization in...
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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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2009-09-15
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-15
Carsten Kutzner
Enforced rotation: new type 'followplane', plus fixed...
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2009-09-07
Carsten Kutzner
Edsam: Added the possibility to flood towards a certain...
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2009-09-03
Carsten Kutzner
Enforced rotation: made fit type controllable by mdp...
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2009-09-03
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-03
Carsten Kutzner
Enforced rotation: rotation output file names can now...
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2009-09-02
Carsten Kutzner
Enforced rotation: added type 'fixedplane'
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2009-08-28
Carsten Kutzner
Enforced rotation: simplified calculations in do_flex_lowlevel
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2009-08-24
Carsten Kutzner
Merged in changes from master branch
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2009-08-24
Carsten Kutzner
Renamed rotation.{c,h} to pull_rotation
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