[gmx-users] Re: c6,c12 versus sigma,epsilon

[Rui Qiao]

Dear Hess:
	I am kind of unclear of the combination rule. For example, if
I have atom A and B in system, I know the interaction between A-A and B-B,
then the combination rule will tell the interaction between A-B, is this
right? If I also know the A-B interaction, and they are written in the
".itp" file, then will the combination rule be used?

	thanks for your time.

	sincerely,

	Rui

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Rui Qiao
Research Assistant
Beckman Institute, UIUC