nonbondedParmIndices

val nonbondedParmIndices: List<Int>

%FORMAT(10I8) (ICO(i), i=1,NTYPESNTYPES) ICO : provides the index to the nonbon parameter arrays CN1, CN2 and ASOL, BSOL. All possible 6-12 or 10-12 atoms type interactions are represented. NOTE: A particular atom type can have either a 10-12 or a 6-12 interaction, but not both. The index is calculated as follows: index = ICO(NTYPES(IAC(i)-1)+IAC(j)) If index is positive, this is an index into the 6-12 parameter arrays (CN1 and CN2) otherwise it is an index into the 10-12 parameter arrays (ASOL and BSOL).