VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Apr 01 2009 - 20:12:19 CDT

Goutham wrote:
> Hey All,
>
> I am running NAMDEnergy to calculate energy; Here is the command I use:
>
> namdenergy -all -sel $prot -debug
>
> This turns the pairInteraction on. Now I am figuring out a way to turn
> pairinteraction off; otherwise I am not able to do PME..

Why do you want to have pairInteractions off, and why would having
pairInteractions on not let you use PME?

What is it that you want to calculate, exactly?
Best,
Peter

>
>
> Any suggestions?
>
> Thanks
>
> Goutham
>