VMD-L Mailing List

From: Fernando Vallejos-Burgos (nandobike_at_gmail.com)
Date: Tue Jun 28 2016 - 08:27:42 CDT

You might run around 50 timesteps per second (TPS). If one TPS is 1 fs, then you require: (10 ns)/(1 fs) = 10 million steps.
Dividing 10 million steps per seconds, in 50 TPS gives an approximate of 2.3 days
(Try googling 10*ns/(1*fs)/(50/s) )

That is a ballpark estimate. If you benchmark you will get a much better estimation.
If you’re using a laptop, probably it will crash within a few hours at full load.

>
> On 28 June 2016 at 14:24, Naeem Mahmood Ashraf <naeem.mahmood_at_uog.edu.pk <mailto: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 <tel:%2B923355064805>
> E-mail: naeem.mahmood_at_uog.edu.pk <mailto:naeem.mahmood_at_uog.edu.pk>
>