AMBER Archive (2006)

Subject: Re: AMBER: MD with restraint (nmropt=1)

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 06 2006 - 09:59:43 CST

On Wed, Dec 06, 2006, a a wrote:
>
> I tried it several times and make the corrections as follows, however, i
> don't know if I have misunderstand your answers, i still did not get it
> works.

It is much more helpful if you give some indication of what sort of output
you get, rather than just saying "it doesn't work".

It looks like you did not set nmropt in your input file. This is needed to
use NMR-like restraints.

...good luck....dac

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