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Published 20 hours ago • verified publisher icon marrink-lab

Settles doesn't make edges

Open fgrunewald opened this issue 1 year ago • 0 comments

Describe the bug When running polyply gen_coords on settles molecules they are not connected, because the processor doesn't make bonds for settles molecules.

Expected behavior Settles should make triangular bonds between the components.

Workaround define a #FLEXIBLE directive

fgrunewald avatar Dec 02 '22 14:12 fgrunewald