Synopsis

test.CoordShakeEnergy [-hV] [-d=1.0] [-f=-1] [-l=-1] [-s=1] file

Description

Compute the energy after shaking coordinates.

Options

-d, --deltaX=1.0

Distance to move coordinates (applies to all equally)

-f, --final=-1

Last atom to test (-1 indicates last atom in the system).

-h, --help

Print command help and exit.

-l, --lambda=-1

Lambda value (-1 indicates no lambda dependence).

-s, --start=1

Starting atom to test

-V, --version

Print the Force Field X version and exit.

Arguments

file

A PDB or XYZ coordinate file.