During Ligand preparation on CHARM GUII,I do encounter this issue hence do anyone know how to encounter this? since my molecules do contain sulphur?

28 November 2024 0 4K Report

"CGenFF failed to parameterize force field for your molecule. Log: CHARMM General Force Field (CGenFF) program version 2.5.1 released August 2021 Copyright (C) 2020 SilcBio LLC and University of Maryland, School of Pharmacy. All Rights Reserved. readmol2 warning: non-unique atoms were renamed; run with -v for details. Now processing molecule clb ... attype warning: unknown sulfur type not supported; skipped molecule."

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