Re: [AMBER] Non-standard Serine Residue

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Sun, 18 Dec 2011 15:53:45 +0100

Dear Chris,

> I am working with a protein with an inhibitor attached to the oxygen of a
> serine and I am wondering what the naming convention is for tleap. If it
> helps, the part of the inhibitor it is attached to is a carbon. If I need
> to provide more information please tell me.

You might be interested by the following tutorial:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#25
   versus
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#24

The procedure .
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php#25 has been
even more simplified recently.

regards, Francois




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Received on Sun Dec 18 2011 - 07:00:03 PST