Re: [AMBER] tleap cannot create topology and coordinate files

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 17 Apr 2013 09:44:11 -0400

On Mon, Apr 15, 2013, javier alejandro rendon carrillo wrote:

> FATAL: Atom .R<T 212>.A<P 1> does not have a type.

Amber uses version 3.x of the PDB standard: RNA bases are A,C,G,U; DNA
bases are dA, dG, dC and dT. There is no "T". You will need to adjust your
PDB file to have a "modern" nomenclature for atoms and residues.

...good luck...dac


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Received on Wed Apr 17 2013 - 07:00:02 PDT
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