scalarCHARMM.pl

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Usage

usage:   scalarCHARMM.pl [options] name [PDBfile]
options: [-par CHARMMoptions]
         [-psf PSFfile CRDfile]
         [-mol2 MOL2file]
         name: charge, radius, mass, type

Description

This script allows the extraction of scalar quantities from CHARMM after a structure has been loaded.

Options

-help: usage information

Examples

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