[gmx-users] GLUH is not recognised by pdb2gmx

Pradip Kumar Biswas p.biswas at csuohio.edu
Fri Jul 15 22:27:39 CEST 2005


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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