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Fix a bug where parm.save() would convert to a ChamberParm if CMAPs were present, even though Amber has CMAPs now#1152

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swails merged 2 commits into
ParmEd:masterfrom
swails:bugfix/fix-save-to-parm-with-cmap
Feb 28, 2021
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Fix a bug where parm.save() would convert to a ChamberParm if CMAPs were present, even though Amber has CMAPs now#1152
swails merged 2 commits into
ParmEd:masterfrom
swails:bugfix/fix-save-to-parm-with-cmap

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@swails swails commented Feb 28, 2021

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Fixes #1151

Also fixes a bug in the parmed CLI and adds a test for it.

@swails swails merged commit 1be8ca0 into ParmEd:master Feb 28, 2021
@swails swails deleted the bugfix/fix-save-to-parm-with-cmap branch February 28, 2021 02:58
@Valdes-Tresanco-MS

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Can you do this PR for the v3.4 branch? This branch and master have conflicts, however, it would be helpful if this issue was also fixed in the v3.4 branch. I can help by doing the PR.

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swails commented Feb 15, 2022

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Done in #1224

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Newer versions of ParmEd errantly converting to CHAMBER-style prmtop

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