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[ESPResSo-users] Force without Langevin contribution

From: Clemens Jochum
Subject: [ESPResSo-users] Force without Langevin contribution
Date: Mon, 12 Nov 2018 14:30:47 +0100
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:60.0) Gecko/20100101 Thunderbird/60.2.1

Dear all,

I am simulating a system consisting of two dendrimers and I want to
calculate the effective force between those dendrimers. The dendrimers
interact via LJ- and DH-potentials. If I sum up the forces of the
particles pertaining to the individual dendrimers, I also include
friction and stochastic forces due to the Langevin-thermostat. I could
just calculate the individual forces from the particle positions, but
that seems inefficient.

Is there an efficient way in ESPResSo to get the effective force without
the Langevin contribution?

On a different but similar note: Is there an efficient way in ESPResSo
to pin a single particle to a fixed position, while measuring the force
acting on that particle (again withouth Langevin if possible)?


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