Dear All users, I want to simulate a non-neutral system including cations with gromacs. It can be possible?
I want to use Ewald summation for long for calculating range range interactions. I see in Error page of gromacs: Note for PME users: It is possible to use a uniform neutralizing background charge in PME to compensate for a system with a net background charge. There is probably nothing wrong with this in principle, because the uniform charge will not perturb the dynamics. ---------------- It means I can not use Ewlad for charged systems? Besides, I can not realize that how neutralization can be done by uniform neutralizing background charge. Which part of gromacs do it? -- Sincerely Ali Alizadeh -- 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.
