From: Aashish Bhatt (aashish.ph16221_at_inst.ac.in)
Date: Thu Feb 27 2020 - 04:14:45 CST
I am trying to check bond breaking in my system with the help of QM/MM.
I am getting the following error and i am using Amber topology.
can you please look into it.
*Info: 1) Group ID: 1 ; Group size: 9 atoms ; Total PSF charge:
-0.412152FATAL ERROR: QM atoms do not add up to a whole charge, which is
needed for PME.------------- Processor 0 Exiting: Called CmiAbort
------------Reason: FATAL ERROR: QM atoms do not add up to a whole charge,
which is needed for PME.*
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