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
PhD Scholar
Biophysics
Department of Physiology and Developmental Biology
Brigham Young University
LSB 3050
Provo, UT 84602
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:17 CST