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. Author manuscript; available in PMC: 2024 Mar 26.
Published in final edited form as: J Chem Theory Comput. 2023 Sep 7;19(18):6353–6365. doi: 10.1021/acs.jctc.3c00659

Figure 4.

Figure 4.

Relative RMS per molecule (〈RRMS〉) as a function of the restraining strength at (a) the permanent point charge of the pGM-ind model (aq in eq 4) and (b) the permanent dipole of the pGM-perm model (ap in eq 7). Reference method and basis sets, namely, CCSD/aug-cc-pV5Z (a5z) and MP2/aug-cc-pV5Z (a5z), are utilized for SMALL (circle point) and LARGE (square point) sets, respectively.