Dear users, I have a 100 ns simulation trajectory and I have generated FEL (free energy landscape) with it to extract a minimum energy conformation of my protein.
How can I show sampling convergence of FEL in gromacs? Do I have to split the trajectory (say at every 20ns) and generate FELs from them to compare? -- Yours Sincerely, -------------------------- SUBHOMOI BORKOTOKY, Centre for Bioinformatics Pondicherry University Pondicherry,INDIA. Alternate Email: subho...@mails.bicpu.edu.in https://scholar.google.co.in/citations?user=bJz7GokAAAAJ&hl=en -- 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.
