Skip to content

Errant percentage sign in string stops parmchk2 from running successfully on some Windows machines #216

@rosemary-mantell-cresset

Description

In the command string for parmchk2,
cmd = f"parmchk2 -i out.mol2 -f mol2 -p {self.gaff_dat_filename} -o out.frcmod -s %{self._gaff_major_version}"
there is an extra percentage sign before the gaff major version that I think should not be there. On Linux/Mac, this seems to be harmless. Not entirely sure how this happens, but on Windows this sometimes seems to get filled with random text that gets inserted into the middle of the parmchk2 command that then does not run. Having tested on several different Windows machines, I only found this to happen on a single machine.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions