IMP Reference Guide
2.20.2
The Integrative Modeling Platform
|
Sample using molecular dynamics. More...
Inherits object.
Sample using molecular dynamics.
Definition at line 327 of file samplers.py.
Public Member Functions | |
def | __init__ |
Setup MD. More... | |
def IMP.pmi.samplers.MolecularDynamics.__init__ | ( | self, | |
model, | |||
objects, | |||
kt, | |||
gamma = 0.01 , |
|||
maximum_time_step = 1.0 , |
|||
sf = None |
|||
) |
Setup MD.
model | The IMP Model |
objects | What to sample. Use flat list of particles |
kt | Temperature |
gamma | Viscosity parameter |
maximum_time_step | MD max time step |
Definition at line 334 of file samplers.py.