Hi, You can have a look at:
http://pubs.acs.org/doi/abs/10.1021/ct3003157 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. Cheers Tom ________________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Gmx QA [gmxquesti...@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 Hi 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 anywhere. 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? Thanks /PK -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
