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. Author manuscript; available in PMC: 2013 May 8.
Published in final edited form as: J Chem Theory Comput. 2012 Apr 13;8(5):1721–1736. doi: 10.1021/ct300035u

Figure 7.

Figure 7

The heavy atom positions of the propanamide X-ray structure (ZZZKAY01122) and lowest potential energy structure sampled by AMOEBA/OSRW agree, although a hydrogen from the central carbon atom was not included in the experimental model.