From: Natasha Gupta (ngupta.r_at_gmail.com)
Date: Wed Aug 23 2017 - 17:35:34 CDT
Sorry - I meant make a psf, not create a ligand.
> On Aug 23, 2017, at 5:46 PM, Natasha Gupta <ngupta.r_at_gmail.com> wrote:
>
> 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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