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Use latest release of GMSO; add GAFF to tests #63

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chrisjonesBSU opened this issue Sep 26, 2023 · 1 comment
Open

Use latest release of GMSO; add GAFF to tests #63

chrisjonesBSU opened this issue Sep 26, 2023 · 1 comment
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We should change our environment files to use GMSO from conda rather than source, and test that the changes made in GMSO for GAFF are working.
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chrisjonesBSU commented Nov 14, 2023 •
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Note: For the unit tests to pass, the systems will have to be molecules that don't contain improper dihedrals as the GAFF impropers are not yet supported by hoomd.

@chrisjonesBSU chrisjonesBSU added the good first issue Good for newcomers label Nov 28, 2023
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