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Difference between revisions of "scalarCHARMM.pl"
From MMTSB
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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
Description
This script allows the extraction of scalar quantities from CHARMM after a structure has been loaded.
Options
- -help
- usage information