On 12/10/12 3:27 PM, Andrew DeYoung wrote:
Hi again,
I forgot to mention that in my system I always set nrexcl = 3 (while
explicitly specifying 1-4 interactions in [ pairs ], as I mentioned in my
last message). Does this mean that if gen-pairs = yes, then 1-5, 1-6, 1-7,
..., 1-Infinity nonbonded interactions will automatically be taken into
account?
They are calculated like any other nonbonded interaction in the system.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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