[gmx-users] localp

Cheong Wee Loong, Daniel dcheong at ihpc.a-star.edu.sg
Tue Apr 14 04:55:37 CEST 2009

I think the local pressure can only be calculated with a modified unsupported version of gromacs that you can download. However, this was only done with gromacs version 3.0 not even 3.3

-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Jose Javier Lopez Cascales
Sent: Friday, March 27, 2009 9:14 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] localp

Hi Guys,

May anyone tell me how to calculate the local pressure in a lipid
bilayer using Gromacs?
In this context, I knew about the existence of g_localp, but it is
missed in the new versions of Gromacs.

In addition, is it possible to extract the force tensor Fij for all the
atom pairs of a certain system from the simulated trajectory?

Thank you very much in advance for your assistance,


Dr. Jose Javier Lopez Cascales
Profesor Titular de Universidad
Grupo de Bioinformatica y Macromoleculas (BioMac)
Area de Quimica Fisica
Universidad Politecnica de Cartagena
Campus de Alfonso XIII, Aulario II
30203 Cartagena, Murcia

Phone....: +34-968-325567
Fax......: +34-968-325931
Skype....: jjlopezcascales
e-mail...: javier.lopez at upct.es
website: http://www.upct.es/~biomac/javier.html

gmx-users mailing list    gmx-users at gromacs.org
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you.

More information about the gromacs.org_gmx-users mailing list