Reg: dielectric constant calculations in NAMD

From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
Date: Fri Oct 31 2014 - 00:51:24 CDT

• Next message: Nifeng Guo hui: "Why RDF increases as r increase instead of constant"
• Previous message: Maxim Belkin: "Re: Mechanical Properties of protein"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear all

Is it possible to calculate dielectric constant for a homogeneous system in
NAMD. I have a cystine surrounded by other amino acids and water molecules.
I want the cystine to be considered as a solute and other molecules as
solvent , i want to calculate the dielectric constant of this solvent
(other amino acids and water molecules)

Thank you for your concern.

With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus

• Next message: Nifeng Guo hui: "Why RDF increases as r increase instead of constant"
• Previous message: Maxim Belkin: "Re: Mechanical Properties of protein"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:57 CST