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
09:58:43 +0100:

> 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.
>
>

_____________________________________________________
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.