Search for minimum energy polymoprhs for a given space group.
test.CrystalSearch(1) Manual Page
Name
test.CrystalSearch - Search for minimum energy polymoprhs for a given space group.
Synopsis
test.CrystalSearch [-hV] [-e=1.0] [-t=10] file
Description
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.