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From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Jun 10 2010 - 14:49:15 CDT

Can you also send cellubo1.pdb?

On Jun 10, 2010, at 11:25 AM, Bharath Rajeswaran wrote:

> Hi,
>
> I am trying to do a simulation for a polymer of glucose. I used the corresponding patches to set up the topology file of the sugar molecule. I got the pdb and used molden to write the pdb for the atoms set that I am considering. I however get the following error. Can someone help me out?
>
>
> Created by CHARMM version 34 1
> duplicate residue key 14BB will be ignored
> building segment U
> reading residues from pdb file cellubo1.pdb
> unknown residue type 2
> extracted 1 residues from pdb file
> Info: generating structure...
> unknown residue type 2
> ERROR: failed on end of segment
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
> My system is cellubiose and I am sending topology file that I modified. What is this error unknown residue type 2 .
>
> Thanks
>
> Regards
> Bharath Rajeswaran <top_all36_carb.odt>

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