Thanks to all for your immediate reply. But, I think NTC = 3 wont work in
parellel run. What could be the solution for this?
On Tue, Dec 1, 2009 at 11:11 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> > > the only option is to constrain all bonds.
> > The only way I know how to do this is by the belly option
>
> Oops, I forgot SHAKE..
>
> Bill
>
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Received on Tue Dec 01 2009 - 21:30:03 PST
