[gmx-users] GLUH is not recognised by pdb2gmx
tsjerkw at gmail.com
Sat Jul 16 07:10:32 CEST 2005
Try running pdb2gmx with the option -ignh
On 7/15/05, Pradip Kumar Biswas <p.biswas at csuohio.edu> wrote:
> 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.
> 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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