parameter file for DMPC lipid and protein system but with CHARMM36 lipids

From: Erica Smith (
Date: Mon Jan 03 2011 - 21:53:59 CST


Has anyone used the charmm36 lipid parameters to simluate a lipid system
containing a protein? In other words using a parameter file such as
par_all27_prot_lipid.inp but with with charmm36 lipid parameters. My
protein is not embedded in the membrane, but sits the within the solvent
pahse (TIP3P water) just above the polar headgroups.

I have not worked with membrane simulations or NAMD for several years, and
am not sure if it is simply a case of just replacing the charmm27 lipid
parameters in par_all27_prot_lipid.inp with the charmm36 lipid parameters.

Erica Smith

Dr Erica Smith
Lecturer in Chemistry
School of Science and Technology
University of New England
Armidale NSW 2351 Australia
Phone  61 2 6773 5130
Facsimile 61 2 6773 3268
Mobile  0488 167 589
CRICOS Provider Code 00003G

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