AMBER Archive (2008)Subject: Re: AMBER: Writing pressure in md.out file in NVT simulation
From: David A. Case (case_at_scripps.edu)
Date: Mon Mar 03 2008 - 13:24:20 CST
On Mon, Mar 03, 2008, Sudha Mani Karra wrote:
> Can anyone help me out in explaining how we can write the
> pressure in the md.out file in a NVT simulation.
Set ntb=2, ntp=1 and taup=999999.
This will report the pressure, but not actually allow the volume to change.
..dac
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