On Fri, Dec 29, 2006, sai vikram wrote:
> I am trying to do a simulated annealing on a protein structure restraining
> Restrain 2 to 20 residues
> 50.0
this is a very large restraint
>
> Restrain the CA atom of first residue strongly
> 1000.0
this is an incredibly large restraint, and will probably lead to dynamical
problems. Consider using a restraint that is one to two orders of magnitude
smaller.
> Error:
> too many values for NAMELIST variable
>
>
> &wt type='END'
You are missing the "&end" sentinel in this namelist section.
...dac
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Received on Sun Dec 31 2006 - 06:07:40 PST
