VMD-L Mailing List
From: Subrata Paul (paul.subrata34_at_gmail.com)
Date: Tue Apr 28 2015 - 05:03:37 CDT
Actually I have simulated a protein-urea-water system and want to know pair
wise electrostatic and vdw interaction energy. In the vmd energy tool the
default dielectric constant is 1.
1. Is it correct for explicit solvent ? what will be the dielectric
constant in protein-urea and protein-water interaction?
2. is dielectric constant required for only electrostatic energy ?
-- *With Best RegardsSubrata PaulPhD StudentDept of Chemistry.IIT Guwahati*