Re: High pressure calculations

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Fri Feb 03 2017 - 11:15:04 CST

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.

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:04 CST