Dear all, My question below is not directly a Gromacs's technical issue, so sorry for posting it here, however, any comment would be highly appreciated;
A long surfactant (Molecular Weight (MW) of around 1200 g/mol) with weight fraction of 0.8 % in the system of emulsion works to keep the particle's size of a material around 1 micrometer (um) of diameter experimentally. To model such emulsion in all atoms MD simulation we can't go for the particles of 1 um diameter, but far less to a particle with around only 7 nm of diameter. From 1 um particle in experiment to 7 nm one in MD simulation, the surface-volume of particle gets change, so that, using the surfactant with similar MW and weight fraction as the ones used in experiments does not work in MD simulations, so, would you please share your idea and though on how to mimic the MD simulations to experiments as mush as possible? Best regards, Alexander -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
