On 16/11/2010 7:14 AM, nishap.pa...@utoronto.ca wrote:
Hello,
I want to turn off electrostatic interactions between CH4 and SOL
in my system. I am using ffG53a6 forcefield for CH4 and spc for my
water model. CH4 is an united atom and so I can't make the charges
zero in the topology. Is there any other way I can turn off
electrostatic interactions?
Thanks.
-Nisha
Use an "energy group exclusion". See manual.
Mark
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