ML_MOPOT_DM
ML_MOPOT_DM = [real]
Default: ML_MOPOT_DM = 1.0
Description: Specifies the well depth of the Morse potentials used as auxiliary potentials in thermodynamic integration (VCAIMAGES).
This parameters sets well depth [math]\displaystyle{ D_e }[/math] of the following Morse potential
[math]\displaystyle{ V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. }[/math]
Related tags and articles
ML_LMLFF, ML_LCOUPLE, ML_ICOUPLE, ML_RCOUPLE, ML_NATOM_COUPLED, ML_LEMPPOT, ML_EMPPOT_RCUT, ML_SRPOT_B0, ML_SRPOT_N0, ML_SRPOT_S0, ML_MOPOT_NM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM