xianghong qi wrote:
Hi, Mark:
for these two cases
energygrp_excl = Methane1 Methane2
and
energygrp_excl = methane1 methane2
I got same error: methane1(or Methane1 ) is not energy group.
OK, so now that it's a group, you need it to be an energy group - see
energygrps.
Mark
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