Re: 1-4 vdw scaling?

From: Axel Kohlmeyer (
Date: Sat Aug 11 2012 - 14:49:03 CDT

Scaled 1-4 vdw are part of the non-bonded parameters. Just remove the scaled terms and you should be good. Axel.
Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

-----Original Message-----
From: Jacqueline Schmidt <>
Sender: owner-namd-l_at_ks.uiuc.eduDate: Sat, 11 Aug 2012 12:41:20
Reply-To: Jacqueline Schmidt <>
Subject: namd-l: 1-4 vdw scaling?

Dear NAMD users,
I want to include both electrostatic and vdw interactions for 1-4 interactions. 
So I used "exclude   scaled1-4" along with "1-4scaling    1.0" to include 1-4 electrostatic interactions.
How should I do the same for vdw? (I changed the 1-4 scaling to check if this would vary the vdw energy and it did not. Hence, I am sure I need some extra commands to include 1-4 vdw interactions). Anyone can help please?

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:21:54 CST