ML_SRPOT_N0
ML_SRPOT_N0 = [integer]
Default: ML_SRPOT_N0 = 10
Description: Specifies the exponent of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration (VCAIMAGES).
We advise to use an exponent that resembles a Gaussian function (ML_SRPOT_N0=2).
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_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM