[gmx-users] CPU usage

[Christopher Tran]

Quoting F Jiang <jiangf at aphy.iphy.ac.cn>:

> Dear All,
> 
>  
> Also, what's the MD running time for a protein of 100aa in water (-d 0.5 box)
> or 10 steps?

This depends on your CPU, the values you have set for dt and nsteps, and many 
other factors.  The best thing to do is to use the -v flag when you use the 
MDRUN command to see the approximate finishing time.

>  
> 
> Thanks very much.
> 
> Fan
> 
>  


Christopher Tran