Re: [AMBER] Torsion restraints with pmemd.amoeba

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 4 Jun 2015 12:12:53 -0400

On Thu, Jun 04, 2015, Karl Debiec wrote:
>
> No Amoeba support for file redirections!

Not really sure why this is still there. But see below for something to try.

> &wt
> type = "REST",
> value1 = 1.0,
> &end

Change the above to
 &wt type="END", /

And see if that helps. But I'm not sure that pmemd.amoeba really allows
NMR-type restraints, so check your outputs carefully.

....dac

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Received on Thu Jun 04 2015 - 09:30:05 PDT
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