Re: simulation of membrane-protein systems

From: Richard Wood (
Date: Wed Dec 13 2006 - 14:21:25 CST

Hi all, This question poses a question more from my curiosity than anything else. Having worked with lipids in the past, I have just started to play around with the membrane generating function of VMD. I notice that one can create POPC or POPE membranes. I have two questions, one for VMD users and one for NAMD users. Will it be possible to create a membrane using DMPC in VMD at some point? Secondly, once you've created a membrane.pdb and membrane.psf, what force field does one use to do computations? Are there CHARMM parameter and topology files out there that have POPC, POPE and DMPC molecules in them? I ask this because I've not done membrane calculations using CHARMM before. I know some of you may yell at me for not "doing my homework" before I ask this... Richard Richard L. Wood, Ph. D. Computational Chemist Cockeysville, MD 21030 ____________________________________________________________________________________ Do you Yahoo!? Everyone is raving about the all-new Yahoo! Mail beta.

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