Re:

From: amin_at_imtech.res.in
Date: Fri Feb 22 2013 - 00:31:16 CST

Hi. I think its because you have a residue named PEG in your pdb file which is
not defined in the topology file you are supplying. You can either delete PEG
from your pdb or define it in the topology file.

Amin.

> Dear all,
>
> I have some problem here. I got message on my terminal like I write bellow :
>
> psfgen) Created by CHARMM version 31 1
> psfgen) cross-term entries present in topology definitions
> psfgen) aliasing residue HIS to HSE
> psfgen) aliasing residue ILE atom CD1 to CD
> psfgen) aliasing residue HOH to TIP3
> psfgen) building segment U
> psfgen) setting patch for first residue to NONE
> psfgen) setting patch for last residue to NONE
> psfgen) reading residues from pdb file chainH.pdb
> psfgen) unknown residue type PEG
> psfgen) extracted 279 residues from pdb file
> psfgen) Info: generating structure...psfgen) unknown residue type PEG
> failed!
> 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.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
>
> MOLECULE MISSING! Use resetpsf to start over.
> vmd >
>
> Anybody could help me to resolve my problem?
> Thank you..
>
>
>
> Best regard,
> T.S. Humani
>
>
>

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