AMBER Archive (2006)

Subject: AMBER: a question

From: german (
Date: Fri Apr 21 2006 - 06:04:54 CDT

Dear amber users,

I'd like to know if anyone knows, how the PME works..I have a technical
question regarding PME...
Is the value of CUT the cut off value only for VdW forces in the direct
(r) space? and are only the electrostatic forces (EF) treating in the k
space? or are VdW and EF cutoff in the r space and some contribution of
the EF is considered in the k space?

Thanks in advance...


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