4MDS with and without Gln-192 edited, and with a bias of 0.1 kcal/(mol Angstrom) applied

Compare "4MDS, Gln192 edited Optimize.arc" and "4MDS Optimize.arc"

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Date:     Jan 8 2021 09:18
No. atoms:      6057
Formula:     C1511H3228N408O886S24
GEO_DAT:      -52504.877 kcal/mol
GEO_REF:      -52494.258 kcal/mol
RMSD: 0.600Å Diff: 2229.362Å