Thank you very much Mark for your response.
OK, if the [exclusions] way seems reasonable, I'll write the script and test
it.
I am also curious about knowing something. The manual says that "When all
non-bonded interactions within or between groups of atoms need to be excluded,
is it more convenient and much more efficient to use energy monitor group
exclusions".
The "much more efficient" part concerns me a little bit. Because I am looking
for efficiency, can you give me an idea about how using energygrp_excl is more
efficient than using [exclusions]?
Thanks in advance,
Reza Salari
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