VMD-L Mailing List

From: Dawid das (addiw7_at_googlemail.com)
Date: Tue Jan 13 2015 - 08:57:53 CST

Dear NAMD experts,

I have a following question, which is related to the Bionanotechnology
tutorial from your website.
Namely, at point 1.4 I calculate mean dipole moment for two values of
constraints: 1.0 and 10.0 kcal/mol. Now, why obtained dipole moments are so
different, when different constraints are applied? Is it simply because
when constrains is smaller, then amplitude of oscillations is greater, so
dipole moment difference with and without applied field needs to be greater?

Best wishes,

Dawid Grabarek