Ecosyste.ms: Issues

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GitHub / openbiosim/biosimspace issues and pull requests

#88 - [BUG] prepareFEP is broken with recent versions of BSS

Issue - State: closed - Opened by jmichel80 over 1 year ago - 2 comments
Labels: bug

#87 - Backport sandpit version fix from #71

Pull Request - State: closed - Opened by lohedges over 1 year ago

#86 - [BUG] Coordinates from GROMACS vacuum simulations can cause overflow as input to AMBER

Issue - State: closed - Opened by lohedges over 1 year ago - 4 comments
Labels: bug

#85 - Backport fix from PR #83

Pull Request - State: closed - Opened by lohedges over 1 year ago
Labels: bug, exscientia

#84 - [BUG] AMBER Process getPressure would not recognise

Issue - State: closed - Opened by xiki-tempula over 1 year ago - 4 comments
Labels: bug

#83 - Fix issue #82

Pull Request - State: closed - Opened by lohedges over 1 year ago

#82 - [BUG] GeneralUnit.__init__() tries to call del on a tuple

Issue - State: closed - Opened by lohedges over 1 year ago
Labels: bug, exscientia

#81 - [BUG] isSame doesn't work when adding different molecules with same number of atoms to an existing system

Issue - State: closed - Opened by lohedges over 1 year ago - 6 comments
Labels: bug, exscientia

#79 - Fix issue #78

Pull Request - State: closed - Opened by lohedges over 1 year ago - 10 comments
Labels: bug, exscientia

#78 - [BUG] AMBER output parser gives wrong number of values in dof=2

Issue - State: closed - Opened by xiki-tempula over 1 year ago - 5 comments
Labels: bug, exscientia

#76 - [BUG] rhombic dodecahedron triclinic spaces not working with OpenMM

Issue - State: closed - Opened by lohedges over 1 year ago - 13 comments
Labels: bug, exscientia

#71 - Minor tweaks to the BioSimSpace.Stream feature

Pull Request - State: closed - Opened by lohedges over 1 year ago - 11 comments
Labels: enhancement, exscientia

#67 - [BUG] Adding a cofactor

Issue - State: closed - Opened by velocirraptor23 over 1 year ago - 11 comments
Labels: bug

#22 - Slow I/O speed [BUG]

Issue - State: closed - Opened by msuruzhon over 1 year ago - 18 comments
Labels: bug, exscientia