How can I do that using OPLSAA, because in the nb.itp file the values
are for sigma/epsilon? Can I change C6=0 in the code file?
Quoting David van der Spoel <sp...@xray.bmc.uu.se>:
On 2010-09-27 18.37, nishap.pa...@utoronto.ca wrote:
Hello,
Is there a way to turn off the 6-term in LJ 6-12 potential?
-Nisha P.
Set the parameters to zero?
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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