Hi all!<br>I am new to the GROMACS-world, and I am mystified.<br>How do I implement the 3 body potentials advertised in sec. 4.2.8 and sec. 4.2.9 of the GROMACS 3.3 manual?<br>Right now I have the following:<br><br> [ cross_cross_bond ]
<br>;ai aj funct r1e r2e krr<br><numbers here><br><br> [ cross_bond_angle ]<br>;ai aj ak funct r1e r2e r3e krt<br><more numbers here><br><br>when I grompp the topol.top, what I get is a Error, with a complaint "invalid directive", and then a Fatal Error, with the complaint "Incorrect number of parameters - found 5, expected 2 or 4." What is really tough about this is that I've been poring over the source code, trying to decypher what input format ought to be - there is nothing on this either in the Manual, or in the various lists!
<br><br>Thanks a ton!<br><br>Camilo<br>