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Merge branch 'master' into rotation
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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2009-08-20
Carsten Kutzner
Clearer output when multiple groups are rotated
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2009-08-20
Carsten Kutzner
Fixed calculation of nslabs in reduce_output when multiple...
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2009-08-20
Carsten Kutzner
Removed // style comments
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2009-08-20
Carsten Kutzner
Initial commit of enforced rotation add-on
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2009-08-20
Carsten Kutzner
Started new branch 'rotation' for enforced rotation...
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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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