On 21.03.14 09:43, Fabien Paillusson
wrote:
By the way, I was thinking about Axel's answer
about adding by hand the rod-rod force. That is a priori fine
with me but wouldn't I need to take into account the force owing
to the periodic images of the rods? And then, I think it stops
to be simple...
Technically not, since the constraint is also not periodically
replicated. Espresso only adds the constraint force for the primary
box, no periodic images of constraints. It would be demanding to
compute the particle-rod interaction for an infinite array. Probably
one can deduce a formula, but we don't have that yet. Also, the rod
was in fact meant to be used with MMM1D, which doesn't have periodic
boundaries perpendicular to the rod.
Axel
--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609
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