On 26 Sep, 2013, at 19:50, Justin Lemkul wrote: > On 9/26/13 10:47 PM, Christopher Neale wrote: >> Dear Karthi: >> >> As far as I am aware, there is no OPLSAA lipid force field. I have used >> Berger lipids with OPLSAA protein >> ( http://www.pomeslab.com/files/lipidCombinationRules.pdf ) but that is >> mixing a UA lipid with an AA protein >> so be aware of possible problems arising out of that. >> > > There are OPLS-compatible lipids, though they are UA, but specifically > designed to be used with OPLS-AA: > > dx.doi.org/10.1021/ct900086b > > I have not seen these parameters used very widely, though.
I have used the "Ulmschneider lipids" quite a bit and they are working well for me. You can obtain them from Lipidbook, http://lipidbook.bioch.ox.ac.uk/ , in the browser http://lipidbook.bioch.ox.ac.uk/package/ select OPLS and Gromacs. Specifically, POPC is http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html Oliver -- Oliver Beckstein * oliver.beckst...@asu.edu http://becksteinlab.physics.asu.edu/ Arizona State University Department of Physics Tempe, AZ 85287-1504 USA Office: PSF 348 Phone: +1 (480) 727-9765 FAX: +1 (480) 965-4669 Department of Physics: http://physics.asu.edu/home/people/faculty/oliver-beckstein Center for Biological Physics: http://biophysics.asu.edu/CBP/person.php?ID=343 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
