Class MdTopReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class MdTopReader
    extends ForceFieldReader
    A reader for Amber Molecular Dynamics topology files -- requires subsequent COORD "xxxx.mdcrd" file

    PDB note: Note that topology format does not include chain designations, chain terminator, chain designator, or element symbol. Chains based on numbering reset just labeled A B C D .... Z a b c d .... z Element symbols based on reasoned guess and properties of hetero groups In principal we could use average atomic mass.