namdtools.core.core.run_namd

namdtools.core.core.run_namd(configuration_file, log_file, wait=True)[source]

Run NAMD on configuration_file and write to log_file.

Parameters:
  • configuration_file (str) – Path to the NAMD configuration file.

  • log_file (str) – Path to log file to write out.

  • wait (bool) – Should we wait for the NAMD job to finish? Or should we launch in the background?

Returns:

Instance of NAMD controller.

Return type:

NAMD