[gmx-users] Adding 3 body potential

Mehmet Suezen suzen at theochem.tu-muenchen.de
Wed Dec 19 14:34:29 CET 2001


I`d like to add 3-body potential into Gromacs source:
a,b,c,d,e are free parameters, t is angle between 1st,2nd and 3rd
particle. r12 and r13 are 
distances between particles.

      f(r12,r13,a,b,c,d,e,t) =

Which routine should I modify in order to build in such functional form.

Thanks for any help.


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