Re: [AMBER] Error in writing .lib file

From: David A Case <>
Date: Thu, 16 Jul 2015 08:30:21 -0400

On Thu, Jul 16, 2015, Elvis Martis wrote:

> > writeOFF case_2_new.lib
> Writing Amber OFF file case_2_new.lib
> ValueError: Residue already has atom named O1

I guess I would be happier if you added some like this: "I double-checked all
the atoms named O1, to make sure I did not have two such atoms in the same
residue...." (Remember that atom names within a residue have to be unique.)

Is it possible that this is the problem?


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Received on Thu Jul 16 2015 - 06:00:02 PDT
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