Re: [AMBER] Distance restraint

From: David A Case <>
Date: Thu, 18 Sep 2014 10:51:12 -0400

On Thu, Sep 18, 2014, John Smith wrote:
> I added the LISTIN and what I am getting is "No restraint defined". How can
> go around this?

Hm...nothing popped out at me as wrong with your input. Carefully compare
what you have with the files in $AMBERHOME/test/nmr, and see if you can figure
out what is going on. The mdout file should have lines like:

    Here are comments from the DISANG input file:


   Number of restraints read = xxxx

If those are not present then your restraint file is not being processed.


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Received on Thu Sep 18 2014 - 08:00:04 PDT
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