From: Stefano Guglielmo (
Date: Fri May 22 2020 - 11:50:36 CDT

Dear all,
I have generated psf and pdb files for a small ligand through charmm-gui,
but when I try to merge structures of ligand and protein vmd (v. 1.9.3)
seems unable to parse psf file:
"psfplugin) Detected a Charmm PSF file
psfplugin) Detected a Charmm PSF EXTEnded file
Info) Using plugin psf for structure file
psfplugin) Failed to parse atom line in PSF file:
psfplugin) ' 1 GLAB 1 GLAB O1 OG3C51
-0.246000 15.9994 0 0.00000 -0.301140E-02
couldn't read atom 0
ERROR) molecule_structure: Unable to read structure for molecule 41
ERROR) molecule_structure: severe error indicated by plugin aborting
loading of molecule 41"

Is there any solution?

Thanks in advance

Assistant Professor of Medicinal Chemistry
Department of Drug Science and Technology
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178