Thanks Justin. -----Original Message----- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Justin Lemkul Sent: Thursday, September 26, 2013 7:51 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Membrane simulation with OPLS ff.
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. > Charmm has proteins and lipids, but charmm lipids require charmm tip3p > water (or at least tip4p or spc, certainly not regular tip3p) and are > thus slower to simulate in gromacs. I'm more recently using the Slipids > (stockholm lipids) and Amber99SB-ILDN protein forcefield. > Solid choices. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 ================================================== -- 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 -- 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
