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Published 20 hours ago • verified publisher icon openforcefield

Use Sellers fragment set as test

Open davidlmobley opened this issue 6 years ago • 0 comments

Ben Sellers/Alberto Gobbi set from B. Sellers, JCIM 57, 1265 may be good for testing.

davidlmobley avatar Oct 03 '19 16:10 davidlmobley