When generating dihedrals, x2top sets the function to '1'. I recall
there was a way to change that (to 3 in my case) and it worked in
modified OPLS-AA. I am working with a different FF now and for the life
of me cannot recall I changed that in OPLS. I could also be wrong and it
just sets it to '3' by default in OPLS, since all dihedrals are of type
3 in that forcefield. At any rate, i get 1 and want 3.
Any help?
Thanks,
Alex
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