On Wed, Dec 15, 2010, Rossella Noschese wrote:
> I already tried setting rk2 and rk3 in the final restraint, but..nothing!!
> I'll try now with LISTIN=POUT.... I'll inform you.
You might think about what "nothing" means: do you see a restraint energy
when the computed J coupling is outside the range you want it to be in?
...dac
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Received on Wed Dec 15 2010 - 09:00:02 PST
