[gmx-users] Using a different potential function
Daniel Cheong
dcheong at ihpc.a-star.edu.sg
Tue Nov 7 04:21:09 CET 2006
Hi all,
I was just wondering if there is an easy way to add and use a different
functional form for the potential function. I see that we can use
tabulated potential functions but that only allows functions with
distance as a variable. What if I have potentials with cross terms
involving angles between atoms? Is there a way to add such a function
without modifying the code?
Thanks.
Daniel
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