[gmx-users] LJ combination

[이선주]

Dear Gromacs people
 
I am trying to use different combination rules for LJ interaction of certain pair of atoms. 
For that I was testing if the two different combination rule resulted in the same potential energy.
However, the potential energy calculated by combining C(12) and C(6) and that by combining sigma and epsilon was different. 
Is it normal or might I have made mistake?
 
Thanks in advance
Sunjoo
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