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-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On
Behalf Of Jose Javier Lopez Cascales
Sent: Friday, March 27, 2009 9:14 PM
To: gmx-users@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,
Javier
--
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
Spain
Phone: +34-968-325567
Fax..: +34-968-325931
Skype: jjlopezcascales
e-mail...: javier.lo...@upct.es
website: http://www.upct.es/~biomac/javier.html
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