AMBER Archive (2008)

Subject: AMBER: NTR Restraints

From: Daniel Smith (
Date: Tue Mar 25 2008 - 20:17:27 CDT


I am doing a simulation of a channel protein with Na+ ions inside the
channel. I would like to be able to restrain the Na+ atoms with one
restraint weight (say 100 kcal/mol-A^2) and the CA carbons at a second
restraint weight (say 20 kcal/mol-A^2). Is there a way to do this in AMBER?

Daniel Smith
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