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. Author manuscript; available in PMC: 2014 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2013 Jun 25;9(8):3769–3788. doi: 10.1021/ct400230y

Figure 3.

Figure 3

An example of the PRIMO harmonic potential (black) for bonds and angles fit into corresponding CHARMM explicit dipeptide simulations (red). Left: bonded term between SC1 and SC2 particles of tyrosine; right: angle term between SC1, SC2, and SC3 particles of asparagine.