[gmx-users] pressure profiles
Ramya Parthasarathi
ramya.sarati at aol.com
Thu Dec 22 22:10:01 CET 2011
thanks
Ramya Parthasarathi
ramya.sarati at aol.com
-----Original Message-----
From: Dallas Warren <Dallas.Warren at monash.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tue, Dec 20, 2011 11:53 am
Subject: RE: [gmx-users] pressure profiles
It will be saved in the .edr file. Use g_energy to extract the data you are interested in.
Catch ya,
Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]On Behalf Of Ramya Parthasarathi
Sent: Wednesday, 21 December 2011 9:06 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] pressure profiles
Hi,
I am simulating DOPC lipid molecules in water, i would like to plot the pressure profiles, for the systems i have . Can someone tell me , is there any option in GROMACS which can give the pressure profile?
Ramya Parthasarathi
ramya.sarati at aol.com
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