VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Dec 25 2013 - 02:58:43 CST

On Tue, Dec 24, 2013 at 1:13 PM, Douglas Houston
<DouglasR.Houston_at_ed.ac.uk> wrote:
> Hi,
>
> I have a question about VMD's NAMD GUI interface. When I use the "Run NAMD"
> button on my Windows 7 machine, a single namd2 process is spawned. Is there
> a way to get namd2 to run on all 4 of my processor's cores simultaneously? I
> understand the +p4 option needs to be used but how can I edit the command
> string the GUI passes to the namd2 exe?

wouldn't it be more convenient (and efficient!) to just write out the
.conf file and then quit VMD and run NAMD manually?

axel.

>
> cheers,
> _____________________________________________________
> Dr. Douglas R. Houston
> Lecturer
> Room 3.23
> Institute of Structural and Molecular Biology
> Michael Swann Building
> King's Buildings
> University of Edinburgh
> Edinburgh, EH9 3JR, UK
> Tel. 0131 650 7358
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.