Re: High pressure calculations

From: faride badalkhani (
Date: Fri Feb 03 2017 - 13:23:34 CST

As you said I used the constant pressure conditions and I did not get any
error so far. (I am running the simulation for 10 ns). The log file shows
the average pressure ~15 bar, but when I plot the average pressure using
NAMD plot it is zero line. What do you think is wrong with the system set


On Fri, Feb 3, 2017 at 8:45 PM, Vermaas, Joshua <>

> The easiest way I can think of is to just use constant pressure conditions
> until the volume equilibrates. Is there a reason this wouldn't work in your
> case?
> -Josh
> On 02/03/2017 09:15 AM, faride badalkhani wrote:
> Dear NAMD users,
> I want to perform simulations in high pressure (~15 bar). How can I find
> that I have reached the desired pressure?
> Regards,
> F.

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