AMBER Archive (2003)

Subject: AMBER: dielectric constant for blends

From: Taner E. Dirama (dtaner_at_uakron.edu)
Date: Mon Sep 08 2003 - 09:21:11 CDT

Hi all,
I am doing NPT MD simulations of trhalose and glycerol (no water) at different
compositions using Amber7. Knowing the significant effect of dielectric
constant on many properties, how would you think that it should be taken into
account for blends? Is there a way of estimating the dilectric constant for
blends?
Thanks,
 
--
Taner E. Dirama
Department of Polymer Science
The University of Akron
Akron, OH 44325
 
 

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