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. Author manuscript; available in PMC: 2022 Oct 4.
Published in final edited form as: J Chem Inf Model. 2021 Oct 21;61(11):5601–5613. doi: 10.1021/acs.jcim.1c00771

Figure 5.

Figure 5.

Each conformer in CHCl3, CHX, and HEX at T = 300K (10,000 conformers) is projected along the (PC-1, PC-2) plane with the color of cNviol’s classes. The color coding was categorized by cNviol = 4. The cNviol was obtained by counting the number of NOE violations for each conformer with each force field. (a) AMBER ff03, (b) AMBER10:EHT, (c) AMBER12:EHT, and (d) AMBER14:EHT.