[gmx-users] Reference value for berger POPC area per headgroup

Piggot T. T.Piggot at soton.ac.uk
Tue May 20 15:45:30 CEST 2014


You can have a look at:


In these simulations I used a few different variants in terms of both cut-off's and the 'Berger' force field parameters, and so there isn't just one reference value as the APL is dependent upon these different parameters.


From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Gmx QA [gmxquestions at gmail.com]
Sent: 20 May 2014 12:16
To: Discussion list for GROMACS users
Subject: [gmx-users] Reference value for berger POPC area per headgroup


I have a question about which value to aim for as a reference for the
berger lipids and POPC area per head group.

In Justin Lemkul's tutorial, the value 65.8 A^2 is reported, along with a
reference to a 1998 Tieleman et al. paper.
However, I have read that paper now twice and cannot find this value
There are also two popc-systems available for download from the Tieleman
website, but neither of those give 65.8 A^2, at least in my hands.

Could someone please enlighten me about a good reference value for berger
popc apl?

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