Most likely, your script is setting kNOE in more than one place. If you send us your script, we could find the problem.
--JK On Jan 26, 2007, at 3:31 PM, Tomasz Cierpicki wrote: > Hi > > I have question about setting weights for experimental energy terms. > Unexpectedly, regardless of using different values for knoe or kcdi > I am > getting exactly the same structures.
