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. Author manuscript; available in PMC: 2019 Feb 13.
Published in final edited form as: J Chem Theory Comput. 2018 Jan 9;14(2):948–958. doi: 10.1021/acs.jctc.7b00948

Table 4.

Thermal expansion coefficients αV calculated for each FF over the range of biological temperatures tested, found using a linear fit

Force Field αV(K−1 × 10−3)
C36 1.30
C36 LJ-PME 1.16
Drude 1.11
Drude LJ-PME 1.07
Exp. 0.907