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. Author manuscript; available in PMC: 2023 Nov 14.
Published in final edited form as: J Chem Theory Comput. 2023 Jan 25;19(3):924–941. doi: 10.1021/acs.jctc.2c01048

Figure 4.

Figure 4.

RRMSμ and ARRMSV of the ALA-di and ALA-tet data sets of the additive, pGM-ind, and pGM-perm models parameterized with alanine dipeptides from the ALA-di data set in one to five conformations. (A,B) RRMSμ and ARRMSV of the ALA-di data set. The one to five conformations are C7eq, αR/β, αR/β/C7eq, αR/β/C7eq/aβ, and αR/β/C7eq/aβ/C5, respectively. (C,D) RRMSμ and ARRMSV of the ALA-tet data set. The one to five conformations are β, αR/β, αR/β/C7eq, αR/β/C7eq/aβ, and αR/β/C7eq/aβ/C5, respectively.