[gmx-users] Relating acceleration to pressure

Alan Dodd anoddlad at yahoo.com
Tue Mar 4 20:41:52 CET 2008


----- Original Message ----
From: avinash kumar <avinashk.iit.kgp at gmail.com>
To: gmx-users at gromacs.org
Sent: Tuesday, March 4, 2008 7:08:04 PM
Subject: [gmx-users] Relating acceleration to pressure

Hello all,

            This is more of a theoretical question than relating to
the software. My question is that when we simulate a pressure driven
system (that is I am trying to simulate a nanochannel fluid flow using
GROMACS) the pressure is being implemented by defining the group of
fluid atoms as one acceleration group and giving required
acceleration. How can we correlate a actual pressure and accleleration
of one individual particle . That is what is the statistical formula
which will give the relation.

Thanks in advance,
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