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


    Extension

    Desciption

    *.mds

    Modar compact MD setup in binary format

    *.msf

    Modar pre-built structure file in force field description

    *.rst

    Modar MD restart state in binary format

    *.trj

    Modar trajectory file in binary format, supported by Movar also

    *.ene

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

    *.inp

    Modar script file

    *.inc

    A sub-block Modar scripts file

    *.psf

    CHARMM format prebuilt topology file

    *.crd

    CHARMM format crd file

    *.pdb

    RCSB PDB format structure file

    *.log

    Modar log file

    *.ndx

    Atom indexes file for selection


 


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