MMTSB
Tool Set Documentation

Difference between revisions of "scalarCHARMM.pl"

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

Revision as of 01:01, 1 August 2009

Usage

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

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Description

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

Options

-help 
usage information


Examples