> What is the proper syntax for holding a few residues fixed during
> minimization with Sander? If I wanted to hold residues 6,7, 18, 19
> fixed for example, would I do something like:
>
> RES 6 6
> RES 7 7
> RES 18 18
> RES 19 19
I think the belly spec indicates which atoms are allowed to
move, if so you would want to invert this selection, e.g.
RES 1 5
RES 8 17
RES 20 ??
Bill
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Received on Sun Aug 27 2006 - 06:07:07 PDT
