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Pull requests: mosdef-hub/foyer
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update xml_writer for improper dihedral (for example, EMIM+ using GAFF)
#477
opened Nov 18, 2021 by
XiaoboLinlin
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4 tasks
Include bond order in TopologyGraph
#461
opened Sep 17, 2021 by
justinGilmer
Contributor
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2 of 4 tasks
Adds checking if the RB_to_OPLS dihedral conversion is exact when the standard OPLS format does not have a constant (i.e., f0/2)
#436
opened Jun 29, 2021 by
bc118
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3 of 4 tasks
started adding ether trappe-ua to forcefield
#192
opened Dec 7, 2018 by
richardjgowers
Contributor
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