[Xplor-nih] weights for energy terms

[Tomasz Cierpicki]

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.

Here is example of my input file:

evaluate ($knoe  = 30.0)   {* noes potential         *}

noe
   ceiling 1000
   averaging  all sum
   potential  all square
   scale      all $knoe
   sqconstant all 1.0
   sqexponent all 2
end


And this is part of my output file:

X-PLOR>evaluate ($knoe  = 30.0)   {* noes potential         *}
EVALUATE: symbol $KNOE set to   30.00000     (real)

...

X-PLOR>noe
NOE>  ceiling 1000
NOE>  averaging  all sum
NOE>  potential  all square
NOE>  scale      all $knoe
NOE>  sqconstant all 1.0
NOE>  sqexponent all 2
NOE>end


If I set knoe = 100 the calculated structure will be the same.
How can I do this right?

thanks

Tomek

PS.  I am using XPLOR-NIH version 2.16.0