Synopsis

test.CrystalSearch [-hV] [-e=1.0] [-t=10] file

Description

Search for minimum energy polymoprhs for a given space group.

Options

-e, --eps=1.0

Minimization convergence criteria (Kcal/mol/Ang).

-h, --help

Print command help and exit.

-t, --trials=10

Number of random trials.

-V, --version

Print the Force Field X version and exit.

Arguments

file

A PDB or XYZ input file.