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bug fixes

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This commit is contained in:
Steve Plimpton
2022-03-15 09:35:42 -06:00
parent 1d86b3e270
commit 7a32832b88
5 changed files with 19 additions and 30 deletions
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2
tools/tinker/tinker2lmp.py
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@ -1384,7 +1384,7 @@ if npitorsions:
d.sections["PiTorsions"] = lines
if nbitorsions:
d.headers["bitorsions"] = len(pitorsionlist)
d.headers["bitorsions"] = len(bitorsionlist)
# if there are bitorsions, then -bitorsion file must have been specified