Dear GROMACS users, I would like to perform non-equilibrium simulation adding a shear flow on the liquid in my bio-membrane system composed of lipids and water. By means of the applications of the deformations I would like to shear a water in X-Y dimensions along the surface of the membrane. Assuming that I make modeling of the system in NPT ensemble with anisotropic coupling, will the following options be correct for the setup?
compressibility = 0 0 4.5e-5 0.0 0.0 0.0 # here I sen compressibility for all of the deformed directions xx, yy, xy etc to zero ref_p = 1.0135 1.0135 1.0135 0.0 0.0 0.0 ; Deformation is on Deform = 0 0 0 0.01 0.01 0.01 # here I add vel. 0.01 nm ps to the non-diagonal elements corresponded to x and y dimensions of the box to shear a liquid along it Thanks so much for help! Micky -- 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.
