AutoPSF Error

From: Alex Saad-Falcon (
Date: Mon Mar 12 2018 - 10:40:47 CDT

Hello all,

I would like to generate a PSF file for the protein with identifier 6CC0 (, but I am running into the issue where
the ligand is unable to be parameterized. I am assuming it is because it is
not part of any known amino acid or molecule in the parameter or topology
file. How can I generate a psf for 6CC0, or can I get one from RCSB?



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