Module mdposejob

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

Classes

MDSimulation

Variables

__doc__ = ...

DEFAULT_MSJ = '\ntask {\n set_family = {\n desmond = {\n ...

__package__ = 'schrodinger.application.desmond.mdpose'

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"
...