AMBER Archive (2008)

Subject: Re: AMBER: xleap screen output

From: David A. Case (case_at_scripps.edu)
Date: Mon Mar 03 2008 - 15:31:17 CST

On Mon, Mar 03, 2008, Francesco Pietra wrote:

> FATAL: Atom .R<E 2700>.A<H 1> does not have a type.

The most common cause of the problem like this is when you read in a pdb file
that has an atom named "H" in residue 2700, but the template (library) file
does not have such an atom. Of course, I can't tell if this is your problem
or not.

The log file usually has detailed information; you may have to run this in
tleap to capture all of the errors in the buffer in xleap is not big enough.

...dac

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