VMD-L Mailing List

From: Arusha Acharyya (arusha_at_sas.upenn.edu)
Date: Mon Oct 26 2020 - 20:37:20 CDT

Hello,
I have been trying to generate a psf file using pdb and topology files in
VMD. I am attaching the script I used, and the pdb and topology files with
this email. On running the script, it shows the following error:

psfgen) unknown atom type O
psfgen) add atom failed in residue 4CF:1
psfgen) failed!ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR!

It will be very helpful if someone can explain the cause of the error and
its solution.

Thanks,
Arusha 

---
*Arusha Acharyya*
Graduate Student
*Gai Research Group*
Department of Chemistry
University of Pennsylvania

  • application/octet-stream attachment: 4CF.top
  • application/octet-stream attachment: 4CF.pdb