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IMP Reference Guide  develop.cc86c9801d,2022/11/22
The Integrative Modeling Platform
IMP.pmi1.samplers.MolecularDynamics Class Reference

Sample using molecular dynamics. More...

Inherits object.

Detailed Description

Sample using molecular dynamics.

Note
This class is only available in Python.

Definition at line 397 of file /samplers.py.

Public Member Functions

def __init__
 Setup MD. More...
 

Constructor & Destructor Documentation

def IMP.pmi1.samplers.MolecularDynamics.__init__ (   self,
  model,
  objects,
  kt,
  gamma = 0.01,
  maximum_time_step = 1.0,
  sf = None 
)

Setup MD.

Parameters
modelThe IMP Model
objectsWhat to sample. Use flat list of particles or (deprecated) 'MD Sample Objects' from PMI1
ktTemperature
gammaViscosity parameter
maximum_time_stepMD max time step

Definition at line 404 of file /samplers.py.


The documentation for this class was generated from the following file: