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2013-04-30	Michael Shirts	Fixing handling of perturbation mass changes.	commit \| commitdiff \| tree
2013-02-25	Michael Shirts	fix imcompatibility with tpr vers<64 with free energy...	commit \| commitdiff \| tree
2013-02-15	Michael Shirts	bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttcouple)	commit \| commitdiff \| tree
2013-01-18	Michael Shirts	Addendum for expanded ensemble options plus formatting...	commit \| commitdiff \| tree
2013-01-16	Michael Shirts	fixes issues with pressure control and infrequent evaluation	commit \| commitdiff \| tree
2013-01-15	Michael Shirts	Continuation of documentation for expanded ensemble.	commit \| commitdiff \| tree
2013-01-13	Michael Shirts	Fixes for md-vv and rerun	commit \| commitdiff \| tree
2013-01-01	Michael Shirts	Fixed a bug that with multiple exchanges	commit \| commitdiff \| tree
2012-12-20	Michael Shirts	Fixes for andersen temperature control	commit \| commitdiff \| tree
2012-12-20	Michael Shirts	Fixes for expanded ensemble and HREPEX	commit \| commitdiff \| tree
2012-12-20	Michael Shirts	Fix for the pressure in MTTK with constraints + dispersion	commit \| commitdiff \| tree
2012-12-14	Michael Shirts	Fixes redmine issue #1071	commit \| commitdiff \| tree
2012-12-06	Michael Shirts	Removing (inaccurate) virial temperature calc.	commit \| commitdiff \| tree
2012-11-27	Michael Shirts	Removes memory allocation from free energy foreign...	commit \| commitdiff \| tree
2012-11-06	Michael Shirts	Clarification of mdp_opt, add nstexpand defaults &...	commit \| commitdiff \| tree
2012-10-12	Michael Shirts	Fixing issues with replica exchange	commit \| commitdiff \| tree
2012-07-31	Michael Shirts	Added a check for efep that was missing.	commit \| commitdiff \| tree
2012-07-29	Michael Shirts	Fix in when to call the constraints for andersen.	commit \| commitdiff \| tree
2012-06-29	Michael Shirts	Minor formatting and consistency changes to txtdump.c	commit \| commitdiff \| tree
2012-06-29	Michael Shirts	Corrected checkpoint version issues with free energy...	commit \| commitdiff \| tree
2012-06-24	Michael Shirts	Merge "Fix mdp_opt formatting of expanded ensemble...	commit \| commitdiff \| tree
2012-06-04	Michael Shirts	Merging in free energy, exp. ensemble, & andersen t...	commit \| commitdiff \| tree
2012-04-02	Michael Shirts	Fixes problems with g_msd and g_energy	commit \| commitdiff \| tree
2011-09-05	Michael Shirts	Merge "fixed incorrect pV term in the energy file"...	commit \| commitdiff \| tree
2011-07-22	Michael Shirts	number of degrees of freedom can be fractional -- in...	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Additional fixes to the nsttcouple and nstpcouple working...	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Additional changes for setting nsttcouple	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Fix for readir.c so that nstpcouple and nsttcouple...	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Fixed bug with md-vv and with v-rescale	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Proposed fix for v-rescale and berendsen for velocity...	commit \| commitdiff \| tree
2010-08-19	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2010-08-18	Michael Shirts	Changed the way energy conservation bookeeping is done.	commit \| commitdiff \| tree
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2010-08-13	Michael Shirts	Trying to get vscale working with vv.	commit \| commitdiff \| tree
2010-08-09	Michael Shirts	First pass at getting VV / v-rescale formula correct.	commit \| commitdiff \| tree
2010-08-07	Michael Shirts	Eliminated some commented out code.	commit \| commitdiff \| tree
2010-07-11	Michael Shirts	Fixed initial display of temperature for md-vv-avek	commit \| commitdiff \| tree
2010-07-10	Michael Shirts	Removed c++ style comment.	commit \| commitdiff \| tree
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	commit \| commitdiff \| tree
2010-07-10	Michael Shirts	Fixing the include file definition for trotter_update.	commit \| commitdiff \| tree
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-27	Michael Shirts	Fixed gmx_membed.c to agree with domd.c	commit \| commitdiff \| tree
2010-06-27	Michael Shirts	Restored the forbidding of nstcalcenergy for vv for...	commit \| commitdiff \| tree
2010-06-27	Michael Shirts	*Started to add support of nstcalcenergy to vv versions...	commit \| commitdiff \| tree
2010-06-22	Michael Shirts	Harded the shake constraint package so that it couldn...	commit \| commitdiff \| tree
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-20	Michael Shirts	Eliminating the nstcalc issue with vv -- it should...	commit \| commitdiff \| tree
2010-06-20	Michael Shirts	added more information in mdp options.	commit \| commitdiff \| tree
2010-06-12	Michael Shirts	Raised the NHCHAINLENGTH default to 10	commit \| commitdiff \| tree
2010-06-11	Michael Shirts	Fixed various logic problems preventing proper energy...	commit \| commitdiff \| tree
2010-02-07	Michael Shirts	added a secondary check for error if the error is so...	commit \| commitdiff \| tree
2010-02-03	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-02-03	Michael Shirts	Fix for memory error affecting parallel simulations...	commit \| commitdiff \| tree
2010-01-30	Michael Shirts	A fix to compute_bonds_lambda - the value of nr_nonperturbed...	commit \| commitdiff \| tree
2010-01-30	Michael Shirts	Revising the iteration of NPT for single precision...	commit \| commitdiff \| tree
2010-01-22	Michael Shirts	Final fix for parallel checkpointing with Nose-hoover...	commit \| commitdiff \| tree
2010-01-22	Michael Shirts	Continuing fixes for checkpointing in parallel (also...	commit \| commitdiff \| tree
2010-01-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-01-22	Michael Shirts	A variety of changes to correctly do checkpointing...	commit \| commitdiff \| tree
2010-01-18	Michael Shirts	Removed warning caused by throwing away 'const' definition.	commit \| commitdiff \| tree
2010-01-18	Michael Shirts	Fixes for entry to and reading extended system variables...	commit \| commitdiff \| tree
2010-01-17	Michael Shirts	Adding back in changes that mysteriously disappeared.	commit \| commitdiff \| tree
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	commit \| commitdiff \| tree
2010-01-11	Michael Shirts	Fixed typo in changing name of nnhchains to nhchainlength.	commit \| commitdiff \| tree
2010-01-11	Michael Shirts	removed a dependency on a file that did not exist.	commit \| commitdiff \| tree
2010-01-11	Michael Shirts	changes the nnhchains name to nhchainlength	commit \| commitdiff \| tree
2010-01-11	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	commit \| commitdiff \| tree
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	commit \| commitdiff \| tree
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	commit \| commitdiff \| tree
2010-01-04	Michael Shirts	Commented out some checking code useful for the future...	commit \| commitdiff \| tree
2010-01-04	Michael Shirts	Removed some legacy "#if 0" code.	commit \| commitdiff \| tree
2010-01-04	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-01-04	Michael Shirts	Improved output in mdebin.c	commit \| commitdiff \| tree
2010-01-04	Michael Shirts	No longer need to specify fep-lambda every time --...	commit \| commitdiff \| tree
2010-01-03	Michael Shirts	fixes for handling periodicity for dihedral restraints.	commit \| commitdiff \| tree
2010-01-03	Michael Shirts	removed code that had been #ifdef'ed out.	commit \| commitdiff \| tree
2010-01-03	Michael Shirts	Fixed the issues with the restraint calculations.	commit \| commitdiff \| tree
2010-01-02	Michael Shirts	Revision of handling of foreign lambda bonds.	commit \| commitdiff \| tree
2010-01-01	Michael Shirts	Fix for nonbondeds.	commit \| commitdiff \| tree
2010-01-01	Michael Shirts	More fixes for the multicomponent lambda.	commit \| commitdiff \| tree
2010-01-01	Michael Shirts	Latest revision of free energy changes.	commit \| commitdiff \| tree
2009-12-29	Michael Shirts	Free energy now apparently working with multilambda.	commit \| commitdiff \| tree
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-24	Michael Shirts	Fix for initial energy.	commit \| commitdiff \| tree
2009-12-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-23	Michael Shirts	Fixed pressure dispersion correction order.	commit \| commitdiff \| tree
2009-12-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-23	Michael Shirts	fixed sd (I think).	commit \| commitdiff \| tree
2009-12-22	Michael Shirts	fixing order of DISPCORR and PRES	commit \| commitdiff \| tree
2009-12-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-22	Michael Shirts	Formatting changes for calc_dispcorr	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	Cleanup after last commit.	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	Fixed some problems with calculation of dispersion...	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	Made default value of the number of nose-hoover chains...	commit \| commitdiff \| tree
2009-12-20	Michael Shirts	now Nose-Hoover variables are written to mdebin only...	commit \| commitdiff \| tree
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