Re: [AMBER] Cyclic peptide problem

From: Changqing Yan <ycqchemical.gmail.com>
Date: Thu, 25 Apr 2013 15:55:18 +0800

Jason,

When I load the crystal structure into tleap, it cannot recognize it is a
cyclic structure so that it always add more H to the first residue. How can
I make tleap know it is a cyclic peptide?

C.Q.

-------------------------------------
If you have a crystal structure, why not just use that?

If you are not happy with the default coordinates assigned when you use the
'sequence' command, your only alternative (with tleap) is to supply the
coordinates yourself (or modify them in the xleap GUI editor).

HTH,
Jason
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Received on Thu Apr 25 2013 - 01:00:02 PDT
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