ML_MOPOT_NM
ML_MOPOT_NM = [integer]
Default: ML_MOPOT_NM = 0
Description: Specifies the number of Morse-potential pairs used as auxiliary potentials in thermodynamic integration (VCAIMAGES).
This parameter sets the number of pairs for which the following Morse potential is used
[math]\displaystyle{ V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. }[/math]
Setting this tag to 0 switches Morse potentials off.
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_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM