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Brownian dynamics: Virtual sites do not contribute to friction #4295
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I wasn't quite conscious that the virtual sites don't feel any friction at all. |
The Brownian thermostat can no longer act on virtual sites in ESPResSo 4.2.2 and in the python branch. |
For raspberry particles, the friction of the virtual sites is not taken into account for the real particle.
MNWE:
This also creates problems for rotational dynamics: If I use
gamma_rotation = 0, act_on_virtual = True
, the rotational friction should come from the virtual beads. At the moment this friction is 0 and any torque leads to undefined angular velocity.The text was updated successfully, but these errors were encountered: