Dear All users, I have been engaged in answering this question"how long should we continue calculating to make sure we can get justifiable results?". Are there any suggestions to dig out to find out when a system converges? I know this is a too general question. In case of my systems(confined structure, interface between fluid and solid) after 1ns simulation my temperature fluctuation shows quite convergence, my total energy corroborates this convergence too.
-- 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.
