[gmx-users] Integrator sd and pull code possible.

[Marvin Philipp Bernhardt]

Hi all

I am calculating reversible forces in vacuum by constraining two
molecules together using a pull constraint.

For small distances using the md-vv integrator I get repulsive forces
that act on the constraint, however with the sd integrator the forces
somehow only fluctuate around zero. Is there some restriction, that I
can not use sd and pull code together?

Greetings,
Marvin