IMP.pmi.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 393 of file samplers.py.

Public Member Functions
def	__init__
	Setup MD. More...

Constructor & Destructor Documentation

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

Setup MD.

Parameters

model	The IMP Model
objects	What to sample. Use flat list of particles or (deprecated) 'MD Sample Objects' from PMI1
kt	Temperature
gamma	Viscosity parameter
maximum_time_step	MD max time step

Definition at line 400 of file samplers.py.

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

• samplers.py