VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jul 05 2018 - 09:09:51 CDT

Hi,
  If your performance issue only involves the use of "solvate" and
"autoionize" then there's unlikely to be any benefit from running
VMD in parallel. How long are your system preparation steps taking?
I wouldn't expect a 10 million atom system to be much of a challenge.

Best,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jul 04, 2018 at 12:12:21AM +0530, Mani Kandan wrote:
> Dear all,
>
> My system has 10 million atoms, solvating my system takes more
> time and for autoionize too. For that purpose, I want to run in parallel.
> Is it possible? Or Is any other way?
>
>
> Manikandan 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/