Molecular Dynamics, Cheminformatics, Charmm, Amber, Computational Chemistry.
the topology (the atom types) and parameter (bonding and non-bonding forces) files and read them into CHARMM: set toppar = ../toppar set top = @TOPPAR/top_all22_prot.rtf set par = @TOPPAR/par_all22_prot.prm set watstr = @TOPPAR/toppar_water_ions.str ! Read Topology and Parameter Files