[gmx-users] Self-assembly lipid simulation

Syma Khalid syma.khalid at bioch.ox.ac.uk
Wed Aug 29 20:35:20 CEST 2007



The GROMACS user manual is a good place to start. For more specific help you
will probably need to provide details of exactly what you want to do.

What are you simulating? What are the questions you are hoping to answer? 



Best wishes,





Dr. Syma Khalid                    e-mail:  syma.khalid at bioch.ox.ac.uk
Dept. of Biochemistry              phone:   (0)1865-275380
University of Oxford               fax:     (0)1865-275273
South Parks Road                


From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of Alif M Latif
Sent: 29 August 2007 19:19
To: gmx-users at gromacs.org
Subject: [gmx-users] Self-assembly lipid simulation


Dear Gromacs users,


I'm doing MD Simulation on self-assembly of lipid molecules using gromacs.
If someone can kindly help me find the conditions (for my .mdp file) for
these kind of simulation? There are many choices and i would like to ask for
opinion on general (usually) conditions used in the .mdp file for the
simulation. I would like to look for physical and some thermodynamical
properties from my simulation results. This is to aid the experimental
results done. 


Any paper or links also can help me a lot. I have read many papers but i
thought maybe u guys can help add more to it. This is because not much
options i can find in those papers and not all of them use gromacs.Thanks
for reading and your help is greatly appreciated. Thanks again.




M. Alif M. Latif

Chemistry Department, Faculty of Science,

Universiti Putra Malaysia,

43400 UPM Serdang, Selangor,




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