On Fri, Jun 28, 2013 at 3:35 PM, Sindrila Dutta banik <
sindrila.duttabanik.yahoo.com> wrote:
> thanks for the reply.
>
>
> So I have to use sander command to run the umbrella sampling. Is my input
> correct for combination of distance?
>
Not the one you posted. You need to add the rstwt=-1.0,1.0, to have it
recognized as a LCOD. Otherwise, as you pointed out, it's simply treated
as a torsion restraint.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Jun 28 2013 - 13:30:03 PDT
