Hi Aiqun - yes - currently pair srp uses only one atom type (the bptype) to represent the bonds, even if more than one bond type is considered. and bptype is the highest atom type in the system.
HTH,
Tim
Hi Aiqun - yes - currently pair srp uses only one atom type (the bptype) to represent the bonds, even if more than one bond type is considered. and bptype is the highest atom type in the system.
HTH,
Tim