CNS: -CF3 group not recognized

diane h peapus dp72 at postoffice2.mail.cornell.edu
Sat Mar 25 22:58:59 EST 2000


Hello everyone:

I have a -CF3 group on a ligand, ran the coordinates
through HIC-up and got back the .par and .top files.

These .par and .top files can be used in generate.inp
with not problems, but when I try to run 2Fo-Fc map
using model_map.inp, I get the following error.


 %XRASSOC-ERR: missing SCATter definition for ( p    FMP  2001 F1   )
chemical=FX19


I've looked in all the .param and .top files in the
library, and there doesn't seem to be any 'SCATter'
cards for any atoms at all, so I don't know where
to add these cards and what they look like.

anyone have any suggestions?
thanks
diane

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