[gmx-users] LJ potential

nishap.patel at utoronto.ca nishap.patel at utoronto.ca
Mon Sep 27 20:34:09 CEST 2010

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 <spoel at xray.bmc.uu.se>:

> On 2010-09-27 18.37, nishap.patel at 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.
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