after delete_atoms command, temp, energy calculations NAN

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1

I’m running an indent test on a membrane (the tests were running fine under normal conditions). To simulate defects, I ran another simulation using the delete_atoms porosity command, however the simulation does not appear to be computing temperature, energy, etc. (it reads #QNAN).

Any suggestions? Are the deleted atoms being searched for in the code for energy/temp calculations?

-Emil

2

I’m running an indent test on a membrane (the tests were running fine under
normal conditions). To simulate defects, I ran another simulation using the
delete_atoms porosity command, however the simulation does not appear to be
computing temperature, energy, etc. (it reads #QNAN).

is the membrane built from molecules?
then deleting atoms, may generate problems.

axel.