Compute the energy after shaking coordinates.
test.CoordShakeEnergy(1) Manual Page
Name
test.CoordShakeEnergy - Compute the energy after shaking coordinates.
Synopsis
test.CoordShakeEnergy [-hV] [-d=1.0] [-f=-1] [-l=-1] [-s=1] file
Description
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.