From: M. A (matabay2010_at_gmail.com)
Date: Mon May 11 2020 - 01:43:20 CDT
As you know I could do my qmmm simulation. Minimization step was done very
well but in the Annealing part I faced this error:
ERROR: The MM atom 811 is bound to a QM atom, but it was not selected as a
poitn charge. Check your cutoff radius!
FATAL ERROR: Charge placement error in QM-MM bond.
[Partition 0][Node 0] End of program
I know this question is very simple for you but I'm not expert in DFT sorry.
that would be very kind of you if you help me for solving this problem.
-- Maryam Atabay Ph.D in Nano Computational Chemistry Department of Physics, Sharif University of Technology
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