[AMBER] Dielectric constant for dna-ligand in TIP3P system

From: Him Shweta <shwetahim.gmail.com>
Date: Tue, 17 Mar 2015 20:19:59 +0530


I want to calculate the electrostatic interaction energy for a DNA-Ligand
system in explicit TIP3P water.
where, E=k·q1·q2/r and k (=1/4πε) and value of k = 332.24 for
converting the energy in Kcal/mol.
Here i want to know that dielectric constant that will be used for
dna-ligand in explicit TIP3P water system is (~60). So, am i right that the
final E=k·q1·q2/r*60 Kcal/mol for my system.
Thank you in adavnce.
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Received on Tue Mar 17 2015 - 08:00:04 PDT
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