[gmx-users] Freezing Groups
resal81 at yahoo.com
Tue Dec 2 04:42:49 CET 2008
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,
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