From: Natasha Gupta (ngupta.r_at_gmail.com)
Date: Wed Aug 23 2017 - 16:46:55 CDT
Hi,
I am trying to create a ligand from pdb structure from RCSB and parameters
via paramchem. I am seeing the following error:
psfgen) aliasing residue HIS to HSE
psfgen) aliasing residue ILE atom CD1 to CD
psfgen) building segment A
psfgen) reading residues from pdb file A.pdb
psfgen) extracted 1 residues from pdb file
psfgen) setting patch for first residue to NNEU
psfgen) setting patch for last residue to CNEU
psfgen) Info: generating structure...psfgen) unknown patch type CNEU
failed!
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
Any ideas on how to troubleshoot?
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