AMBER Archive (2009)

Subject: Re: [AMBER] Amber - Leap- SolvateBox help

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue May 19 2009 - 06:48:39 CDT

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

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber