Re: 2 molecule pair interactions

From: Peter Freddolino (
Date: Wed Apr 16 2008 - 17:11:52 CDT

PME is a method for calculating full (ie, not subject to cutoff)
electrostatics, so if you use PME you should have electrostatic
interactions regardless of distance. You may want to read up on this

Arturas Ziemys wrote:
> Hi,
> I calculated pair interactions between2 protein in solution, where the
> distance varies up to 70 A between proteins. In my simulation I used
> PME and cutoff 10. I assume at long distances protein A should not
> feel protein B, because of cutoffs. Why I have non-vanishing
> interaction energies in long distances ?

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