File types in Modar

  • Modar reports energies profiles and relevant terms both in log file and in binary format “.ene” file (see previous section), here is the list of abbreviations used in Modar, the units measurement please see §8




    Modar compact MD setup in binary format


    Modar pre-built structure file in force field description


    Modar MD restart state in binary format


    Modar trajectory file in binary format, supported by Movar also


    Modar energies profile in binary format, and it can be viewed by tool “viewene”


    Modar script file


    A sub-block Modar scripts file


    CHARMM format prebuilt topology file


    CHARMM format crd file


    RCSB PDB format structure file


    Modar log file


    Atom indexes file for selection


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