Re: [AMBER] simple question, FATAL: Atom .R<NGLU 1>.A<H 18> does not have a type.

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 10 Jun 2010 10:03:37 -0700

> PS GLU is terminal, this is dimer, in each case this GLU ressidue is
> N terminal, but maybe I need to add manually NGLU, but agains it's
> strange why ambpdb doesn't do it in a way that leap can read then
> and save parameters.

Since the standard residue names out in the world do not contain
terminal variants, leap code would have to guess what type of residue
was given by the atoms in it and its position in the chain. Ideally
it would know all the atom naming schemes and take these into account.
Seems doable but not likely to happen at the Amber price point.

Note that a terminal GLU gets mapped to NGLU, so it's not as if there's
no help whatsoever :-)


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Received on Thu Jun 10 2010 - 10:30:03 PDT
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