Synopsis

test.MultiRes [-ahV] [-c=<chain>] [-n=ALA] [-r=1] file

Description

Evaluates the energy of a MultiResidue system.

Options

-a, --all

Add all amino acids at the given position.

-c, --chain=<chain>

Single character chain name (default is ' ').

-h, --help

Print command help and exit.

-n, --resname=ALA

Name of residue to switch to.

-r, --resID=1

Define the residue number.

-V, --version

Print the Force Field X version and exit.

Arguments

file

A PDB or XYZ coordinate file.