Synopsis

SaveAsP1 [-chV] [--lmn=<lmn>] file

Description

Expand the system to P1 and then save it.

Options

-c, --constrain

Apply geometric constraints before saving.

-h, --help

Print command help and exit.

--lmn, --replicatesVector=<lmn>

Dimension of replicates crystal (e.g., "2,2,2" for a 2 x 2 x 2).

-V, --version

Print the Force Field X version and exit.

Arguments

file

The atomic coordinate file in PDB or XYZ format.