Dear users, I am simulating polymer in water and get water density lower than experimental one at 363K, 1bar. The water model I use is spce.Gromacs version 4.5.4.
Can it be caused by setting dielectric constant epsilon_r = 3.6, which is the value of polymer and much smaller than that of water? If so, can I set the epsilon for water and polymer separately? Thanks very much in advance. -Zifeng -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
