AMBER Archive (2003)

Subject: AMBER: non-bonded cutoffs

From: Michael Dolan (mdolan_at_tripos.com)
Date: Fri Sep 26 2003 - 10:17:16 CDT

When a user specifies a non-bonded cutoff of 8.0A around an atom in a
protein, are a) only atoms within the 8.0A radius included in the
calculation, or b) atoms within 8.0A plus those atoms which are part of
a residue having at least one atom within the 8.0A included?

Thankyou,

Mike

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