[gmx-users] Double-well potential for bonded interaction

[Jacek Artur Kozuch]

Hi,

Does anybody know how to define for a specific bond a double-well potential?

I've looking into the definitions in the gromacs manual
(manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html
and
manual.gromacs.org/current/reference-manual/functions/bonded-interactions.html),
but for now I can only imagine using bond restraints in a similar manner
shown here for position restraints:
manual.gromacs.org/current/reference-manual/functions/restraints.html

It feels like there should be a more elegant way of doing that.

Thanks for your suggestions in advance!

Best,
Jacek

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Dr. Jacek Kozuch

Freie Universität Berlin
Fachbereich Physik
Arnimallee 14
Raum 1.1.35
14 195 Berlin
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