From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Fri Dec 15 2006 - 05:12:26 CST
Hi all,
I'm reposting a question that originates 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've since answered this second question myself, as I built a membrane in VMD and was able to minimize it using NAMD. I used the parameter file par_all27_prot_lipid.prm.
Richard
Richard L. Wood, Ph. D.
Computational Chemist
Cockeysville, MD 21030
rwoodphd_at_yahoo.com
____________________________________________________________________________________
Do you Yahoo!?
Everyone is raving about the all-new Yahoo! Mail beta.
http://new.mail.yahoo.com
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:57 CST