Am 8/12/13 5:26 AM, schrieb Kieu Thu Nguyen: > Dear users, > > I want to use g_msd to measure diffusion coefficients of lipid bilayer. But > i do not know how to choose the reference atom per lipid for an any type of > lipid, such as POPC, DOPC,... > Where i can get these references ?
One suggestion: The two leaflets may move with respect to each other. Therefore, I recommend to compute D *within* each leaflet first - otherwise you may get a too large diffusion constant. Btw: g_select can be used to select the upper / lower phosphates into separate index groups. Jochen > > Thanks so much for any help ! > > ~Thu > -- --------------------------------------------------- Dr. Jochen Hub Computational Molecular Biophysics Group Institute for Microbiology and Genetics Georg-August-University of Göttingen Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany. Phone: +49-551-39-14189 http://cmb.bio.uni-goettingen.de/ --------------------------------------------------- -- 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
