AMBER Archive (2003)

Subject: PME cutoff box size

From: kbyun_at_wesleyan.edu
Date: Tue Mar 25 2003 - 11:24:07 CST


Hi,
Could someone explain to me the "law" about PME
that the cutoff must be less than the distance of the
solute from the face of the box? i.e. cutoff =9A,
distance to box = 10A. I would really appreciate an
explanation, references that point me to this.

Thanks,
Suzie Byun