Re: [AMBER] Amber - Leap- SolvateBox help

From: David A. Case <case.biomaps.rutgers.edu>
Date: Tue, 19 May 2009 12:48:39 +0100

On Tue, May 19, 2009, Shubhra Gupta wrote:
>
> FATAL: Atom .R<C 4>.A<C1 1> does not have a type.

Amber doesn't know anything about a residue named "C". It only knows about
residues in libraries that you load. If this is a standard residue, you could
load the glycam libraries and modify the PDB file to use the proper residue
name. If it is not a standard sugar residue, then follow the procedures in
the tutorials to create the proper library (e.g. esp. tutorial B4).

...dac


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Received on Wed May 20 2009 - 17:28:25 PDT
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