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From: Bharath Rajeswaran (bharathrajeswaran_at_gmail.com)
Date: Thu Jun 10 2010 - 11:25:58 CDT
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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
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