md_relaxation.py Command Help

Command: $SCHRODINGER/run -FROM scisol csp/md_relaxation.py

usage: md_relaxation.py [-h] [-debug]
                        (-config CONFIG_FILE_NAME | -write-default-config WRITE_DEFAULT_CONFIG)
                        [-GPUHOST GPUHOST]
                        [--pipeline-options PIPELINE_OPTIONS]

Script to run the MDRelaxation workflow under Seam. Usage: $SCHRODINGER/run
-FROM scisol csp/md_relaxation_beam.py -config <config.yaml> -HOST <host>
-SUBHOST <subhost> -GPUHOST <gpuhost>

options:
  -h, --help            show this help message and exit
  -debug                Write debug files
  -config CONFIG_FILE_NAME
                        configuration file name
  -write-default-config WRITE_DEFAULT_CONFIG
                        Output default config file which can subsequently be
                        altered to specify user settings.
  -GPUHOST GPUHOST      GPU subhost on which to run the multisim jobs. Format
                        as <gpu_host>:<n> where <n> is the maximum amount of
                        gpu workers.
  --pipeline-options PIPELINE_OPTIONS
                        Custom pipeline options to pass to the SeamRunner.