Synopsis

test.SaveAsConstantPhPDB [-hV] [--rt] file

Description

Save a PDB file that includes all titrating tautomer hydrogen atoms.

Options

-h, --help

Print command help and exit.

--rt, --rotamerTitration

Prepare PDB for rotamer optimization with titration states.

-V, --version

Print the Force Field X version and exit.

Arguments

file

The atomic coordinate file in PDB format.