Thank you. But i have one last question: For epsilon_rf i use the relative permittivity of the medium. I simulate in vacuum so epsilon_rf would be 1?
Thomas On Wed, 17 Sep 2008 14:27:57 +0200 Thomas Schlesier <schlesi at uni-mainz.de <http://www.gromacs.org/mailman/listinfo/gmx-users>> wrote: >/ Ok, then i would take to following parameters: />/ />/ _x is vdw or coulomb />/ />/ rlist 1.7 (must be greater then r_x) />/ r_x 1.4 />/ r_x_switch 0.8 />/ x_type shift />/ />/ right?!? /No, rlist 0.8 nstlist 5 rcoulomb 1.4 rvdw 1.4 vdwtype cutoff coulombtype Reaction-field >/ Thomas />/ />/ _______________________________________________ />/ gmx-users mailing list gmx-users at gromacs.org <http://www.gromacs.org/mailman/listinfo/gmx-users> />/ 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 gmx-users-request at gromacs.org. <http://www.gromacs.org/mailman/listinfo/gmx-users> />/ Can't post? Read http://www.gromacs.org/mailing_lists/users.php / ----------------------------------------------------- XAvier Periole - PhD Molecular Dynamics Group / NMR and Computation University of Groningen The Netherlands ----------------------------------------------------- _______________________________________________ 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