Re: [AMBER] Acetylate and Amidate

From: Bill Ross <>
Date: Thu, 9 Jul 2009 00:13:09 +0100

> What command in xleap do I use to add the ACE and the NH2 to the beginning
> and end of my pdb file protein?

You could try


I forget the syntax, but it is something like this:

  mymol = loadpdbUsingSequence { ACE RES RES RES NH2 } mymol.pdb

where you replace RES RES RES with your residues (all of them).


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Received on Wed Jul 08 2009 - 18:10:21 PDT
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