[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?



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