Re: [AMBER] plane-plane angle restraint

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 22 Jul 2013 19:37:24 -0400

On Mon, Jul 22, 2013 at 7:33 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Hi,
>
> I'm not 100% sure, but I don't think plane-plane angle restraints are
> supported by pmemd yet. Try running a short test with sander using the
> same input and see if that works.
>

This is the correct explanation. Furthermore, pmemd has not been extended
to recognize those new restraint types, so it cannot print out a helpful
error message.

The Amber manual should say that those restraints are only available in
sander.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jul 22 2013 - 17:00:03 PDT
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