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. Author manuscript; available in PMC: 2022 Dec 6.
Published in final edited form as: J Phys Chem B. 2017 Apr 6;121(16):4023–4039. doi: 10.1021/acs.jpcb.7b02320

Table 2.

Prior width values for each parameter type.

Parameter Type Prior Width
Bond length 0.01 nm
Bond force constant 105 kJ mol−1 nm−2
Bond angle 5°
Angle force constant 100 kJ mol−1 rad−2
Dihedral phase π rad
Dihedral amplitude 10 kJ mol−1