On Tue, Sep 02, 2008 at 09:48:58AM +0200, Ángel Piñeiro wrote: > > My conclusion is that this parametrization should not be used, at least for > DPPC bilayers and I would question also the use of DMPC with G53a6... > although I am not sure with this lipid. I want to ask for advice from > experts in bilayers to confirm all this. Assuming that all is true, what
take tieleman's files if you want united-atom lipids. take berger parameters and re-parameterize the head group if you need all-atom head groups. completely reparameterize your lipid if you want an all-atom lipid with proper area per lipid. alternatively you could use isotropic pressure coupling and hope that the referees don't mind, or apply a positive surface tension like the charmm people. 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
