[gmx-users] GLUH is not recognised by pdb2gmx

[David]

On Fri, 2005-07-15 at 16:27 -0400, Pradip Kumar Biswas wrote:
> 
> 
> ______________________________________________________________________
> 
> Hi,
> 
> I have a pdb file in which I have some protonated GLU residues 
> (residue name GLUH). While doing pdb2gmx the GLUH are not
> recognized even though there is a GLUH residue type in the
> ffoplsaa.rtp.
> 
> The error message is:
> 
> Fatal error: Atom HE2 in residue GLU 5 not found in rtp

rename the residue to GLU and run pdb2gmx -glu
> 
> Any suggestion will highly be appreciated.
> 
> regards,
> 
> 
> --
> Pradip K. Biswas, PhD.
> Research Associate, Department of Chemistry;
> Cleveland State University, Ohio-44115
> Phone: 1-216-875-9723
> "Big things in a Simpler way!!"
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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