yes, no problem. just give the termination for the weight change section
and specify your RST file.
On 3/2/07, Seth Lilavivat <sethl.gatech.edu> wrote:
>
> Is it possible to specify restraints (like Watson-Crick) during regular
> explicitly solvated MD without having to give an annealling schedule? In
> other
> words, running MD in solvent as usual but with WC restraints.
>
> Thanks,
> Seth
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Received on Sun Mar 04 2007 - 06:07:55 PST
