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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 4.

Figure 4

Distance spline potentials for bond and angle terms. The spline potential (black) is fitted to the sampling (red) from CHARMM dipeptide simulations. Top left: for N1, CA1, and SC1D angle of aspartic acid (N1-SC1D distance); top right: for SC1E-SC2E bond of glutamic acid; bottom left: CO, CA1, and SC1R angle of arginine (CO-SC1R distance); bottom right: CO, CA1, and SC1I angle of isoleucine (CO-SC1I distance).