Re: Error in running simulation

From: Ruturaj warake (
Date: Mon Jul 26 2021 - 10:10:59 CDT

Dear Users,
Thanks for replying.

One more thing,
I used the command +p8. Still it's taking 180 seconds for equilibration and
195 seconds for production to run 5000 numsteps with 2 fs time step.

While running NAMD,
We need to run equilibration step and then production.
Suppose if I want to run simulation for 100 ns then do I need to run
equilibration for 5,00,00,000 steps and then again production for same
steps ?

What if I reduce the equilibration steps ?
Please do help me out.

Thanks and Regards

Ruturaj Warake,
Niper, Hyderabad,

On Mon, 26 Jul 2021, 19:00 Ruturaj warake, <>

> Dear users,
> I am running simulation on my laptop.
> I have activated all 8 cores of processor but when I run the simulation it
> shows 1 core processor is in use. How to bring all 8 processors in use ?
> Please help for the same.
> Kindly reply to this mail.
> Regards,
> Mr. Ruturaj Warake

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