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Dear Gromacs people<BR>
<BR>
I am trying to use different combination rules for LJ interaction of certain pair of atoms. <BR>
For that I was testing if the two different combination rule resulted in the same potential energy.<BR>
However, the potential energy calculated by combining C(12) and C(6) and that by combining sigma and epsilon was different. <BR>
Is it normal or might I have made mistake?<BR>
<BR>
Thanks in advance<BR>
Sunjoo<BR><br /><hr />e벗 사귀기, 쪽지 보내기, 가젯 즐기기를 통해 전세계 친구들을 만나세요! <a href='http://www.spaces.live.com ' target='_new'>나의 글로벌 인맥, Windows Live Space!</a></body>
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