Updates | JW Out Friday and all next week Finished looking into 1-4 scaling issue. Made OpenMM nonbonded energy decomposition that may be useful for others | Github link macro |
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| link | https://github.com/openforcefield/openff-toolkit/issues/1019#issuecomment-896453091 |
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Started back up on biopolymer development. Prototypes hierarchy perception and residue/chain iterator. SMARTS matching code profiling / Protein FF debugging Sage review
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