On Mon, Apr 21, 2008 at 07:09:31PM +0400, Vasilii Artyukhov wrote: > Dear GROMACS users, > > particularly, those experienced with membrane simulations, > > I want to simulate lipid bilayers (e.g., DPPC) in the presence of certain > small solutes, much like what was done in A.K. Sum & J.J. de Pablo, Biophys. > J. 85, 3636 (2003) with DMSO. I'd like to use the TIP5P and OPLS all-atom > parameters for water and other stuff, but there's still the question of what > parameters to use for lipids. I'm aware that I'm supposed to do my own > research on this matter, but it'd still be very nice to have some advice on > the choice of parameters from someone with more experience in these things.
i'm very happily using berger/oplsaa/tip4p. mind that this means ua lipid tails and the rest aa, so unless you have a distinct lipid phase, it's probably not what you want. personally i'm not (yet) convinced it's a better combination than berger/gromos/spc, though. cheers, marc -- Marc F. Lensink Centre for Structural Biology and Bioinformatics CSBB Université Libre de Bruxelles [EMAIL PROTECTED] Boulevard du Triomphe - CP 263, B-1050 Brussels, Belgium tel: +32 2 650 5411 secr: +32 2 650 2013 fax: +32 2 650 5425 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
