From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Mon Oct 29 2018 - 00:01:25 CDT
I have four sidechains in my QM region (channel is a tetramer). I keep getting this error though:
Info: Number of QM atoms (excluding Dummy atoms): 56
ERROR: Atoms 171 and 156 are assigned as MM atoms.
FATAL ERROR: Error in QM-MM bond assignment.
Those atoms aren't part of the QM region and should be MM atoms. Why would I get this?
Kelly L. McGuire
Department of Physiology and Developmental Biology
Brigham Young University
Provo, UT 84602
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