From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Fri Apr 08 2005 - 11:21:28 CDT
Hi Javier,
You can go to the following link:
http://www.ks.uiuc.edu/Research/namd/tutorial/NCSA2002/hands-on/
There is a very interesting example for simulating gramicidin A with a
lipid bilayer. There you can find the input file samples, as well.
Hope it'll help!
Peace,
Michel
-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On
Behalf Of Lechuga, Javier
Sent: Friday, April 08, 2005 10:24 AM
To: NAMD mailing list
Subject: namd-l: Membrane configuration file
Hello,
In order to run a NAMD simulation, I have created PDB and PSF files
using the Membrane plugin, but, unfortunately, I could not find any
configuration file to simulate a lipid bilayer membrane behaviour and
use it as a beginning point for different runs.
The water box configuration file for Ubiquitin included in the NAMD
tutorial does not seem to work with the membrane and I can not find a
way to modify it and run the simulation with the new file.
Could anyone send me a beginning point configuration file to simulate a
lipid bilayer membrane behaviour, please?. It would be quite helpful.
Thank you
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