Module mdposejob

Classes

MDSimulation

Variables

__doc__ = ...

DEFAULT_MSJ = ...

Variables Details

Value:

"""

Description: A module to handle running different MD Application relat
ed jobs.

Copyright Schrodinger, LLC. All rights reserved.
"""

Value:

"""
task {
  set_family = {
     desmond = {
        checkpt = false
     }
  }
  task = "desmond:regular"
...