Project

General

Profile

Issues

Filters

Apply Clear

# Project Tracker Status Priority Subject Assignee Updated Target version
1335GROMACSFeatureNewNormalImproved interaction of free energies with pull code to better support Hamiltonian replica exchange with umbrella samplingMichael Shirts05/13/2014 10:38 AMGROMACS - future
1247GROMACSFeatureNewNormalfix hardcoded references to atom names in analysis toolsMark Abraham06/12/2014 01:20 AMGROMACS - future
1235GROMACSBugNewNormalpeptide dihedral angle definitions violate IUPACDavid van der Spoel06/19/2015 12:24 AMGROMACS - future
1221GROMACSFeatureAcceptedNormalMore generic position mapping for selections06/10/2014 02:58 PMGROMACS - future
1211GROMACSTaskNewLowimprove use of preprocessor macros in CUDA kernelsSzilárd Páll01/12/2015 06:42 PMGROMACS - future
1182GROMACSFeatureNewNormalimprove trajectory writing to support parallel I/O05/13/2014 10:42 AMGROMACS - future
1170GROMACSTaskNewNormalmdlib reorganization11/17/2016 03:47 PMGROMACS - future
1168GROMACSFeatureIn ProgressLowg_density does not do what users think it does, given PBC over z and constant pressure simulationErik Lindahl10/20/2018 12:49 AMGROMACS - future
1167GROMACSFeatureNewLowtrjconv -center would be more intuitive if it centered the center of mass, not the midpoint between minimum and maximum valuesDavid van der Spoel06/23/2014 04:13 AMGROMACS - future
1166GROMACSBugNewLowg_order is incorrect for unsaturated carbonsDavid van der Spoel06/18/2017 04:40 PMGROMACS - future
1162GROMACSFeatureNewNormalImplement gb_saltconcBerk Hess02/26/2013 05:33 PMGROMACS - future
1142GROMACSFeatureNewLowSynchronizing the differences between point estimation and histogram estimation for free energiesMichael Shirts02/20/2014 08:27 PMGROMACS - future
1137GROMACSFeatureNewNormalProposal for integrator framework (do_md) in future GROMACSMichael Shirts02/21/2017 12:48 AMGROMACS - future
1120GROMACSFeatureNewLowMake build work with multi-cofiguration generators06/03/2014 03:04 PMGROMACS - future
1104GROMACSFeatureNewLowImplement dihedral restraints02/06/2013 07:04 PMGROMACS - future
1053GROMACSFeatureIn ProgressNormalL-BFGS doesn't use constraints or call do_em_stepBerk Hess01/18/2013 11:00 AMGROMACS - future
996GROMACSTaskNewNormalC++ MPI FrameworkRoland Schulz07/14/2014 11:53 AMGROMACS - future
988GROMACSTaskNewNormalDefinition of "public API"03/02/2019 01:45 AMGROMACS - future
986GROMACSTaskNewNormalHandling C++ out-of-memory errors12/24/2014 08:42 PMGROMACS - future
951GROMACSFeatureNewNormalMultiple versions of Gromacs (e.g., single and double) in the same library/binary01/07/2019 02:10 AMGROMACS - future
909GROMACSTaskNewNormalReimplement displacement calculation module07/14/2014 11:30 AMGROMACS - future
907GROMACSFeatureAcceptedNormalAdd tests for verifying installed headers03/11/2014 09:15 PMGROMACS - future
895GROMACSFeatureIn ProgressNormalg_rmsf previous frame as reference04/29/2013 07:39 PMGROMACS - future
765GROMACSTaskNewNormalImproving serialization of data structures prior to communicationMark Abraham05/13/2014 10:04 AMGROMACS - future
760GROMACSFeatureNewLowImplement rigid body groupsBerk Hess12/30/2012 06:04 AMGROMACS - future
(526-550/565) Per page: 25, 50, 100, 200

Also available in: Atom CSV PDF