VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Tue Jun 28 2016 - 11:03:49 CDT

Have a look here:

http://www.ks.uiuc.edu/Research/namd/performance.html

Obviously you have a stand alone machine - but the charts should give you a
vague idea.

As others have pointed out the rest depend on you running some small
simulation especially comparable to other tests to see how your system
performs.

Also --- it depends on what you will simulate - and how you will simulate
it that would govern the time frame of your simulation.

Running it on a mobile platform (i.e. a laptop) is not a good idea since

1) you won't be able to use all the cores available
2) you will most likely over heat your system. No it doesn't matter how
much solvent is in your system. :D

which brings me to a rather more important point -- when I say how you
simulate it means:
what amount of solvent will you add to your system -- lengths of
simulations are mostly constrained by the amount of non-bonded interactions
- which loosely translated to the the more solvent you have - the longer
your simulation will take.

So - as a first pass - start simulating whatever you want to simulate and
within 0.5 to 3 hours you will figure out how long your 10ns will
"potentially" take. If its too long for you -- maybe rephrasing your
research question might be the way to go.

Good luck.

On Wed, Jun 29, 2016 at 12:24 AM, Naeem Mahmood Ashraf <
naeem.mahmood_at_uog.edu.pk> wrote:

> Hello,
> my system is
>
> (i) Intel (R) Core (TM) i3-4010U CPU @ 1.70 GHz Processor
> (ii) RAM 4GB
> (iii) 64 bit operating system
>
> is it enough for 10ns MD simulation and how much time it will take to
> complete simulation;
>
>
>
> --
> *Naeem Mahmood Ashraf*
> *Lecturer Biochemistry & Molecular Biology *
> *University of Gujrat, Punjab *
> *Cell Number: +923355064805 <%2B923355064805>*
> *E-mail: naeem.mahmood_at_uog.edu.pk <naeem.mahmood_at_uog.edu.pk> *
> 

-- 
Best,
/A