[gmx-users] GLUH is not recognised by pdb2gmx

[Tsjerk Wassenaar]

Hi Pradib,

Try running pdb2gmx with the option -ignh

Cheers,

Tsjerk

On 7/15/05, Pradip Kumar Biswas <p.biswas at csuohio.edu> 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
> 
> 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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