[gmx-users] NVT simulation

[Justin A. Lemkul]

swati patel wrote:
> hello Justin,
> 
> I am running NVT simulation for 20,000 steps.From last 40 minutes,It is 
> showing on the screen NOTE: Turning on dynamic load balancing and no 
> further steps are shown.Do generally NVT simulation takes a good amount 
> of time or am I making a mistake somwhere in the parameter file?
> 

I have no idea how long it should take, and the note does not indicate any 
problem.  The time for completion will depend upon a host of factors, not the 
least of which are the size of the system, number of available processors, 
neighbor searching frequency, and electrostatics method.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================