VMD-L Mailing List
From: Douglas Houston (DouglasR.Houston_at_ed.ac.uk)
Date: Sun Dec 29 2013 - 03:39:02 CST
Indeed, that's what I've been doing. The question still stands,
however (although I'm guessing the answer is "you can't").
Quoting Axel Kohlmeyer <akohlmey_at_gmail.com> on Wed, 25 Dec 2013
> On Tue, Dec 24, 2013 at 1:13 PM, Douglas Houston
> <DouglasR.Houston_at_ed.ac.uk> wrote:
>> 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?
>> Dr. Douglas R. Houston
>> 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.
Dr. Douglas R. Houston
Institute of Structural and Molecular Biology
Michael Swann Building
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.