Dear Gromacs users, I want to study MD simulation of my protein in an special pH (2).
I want to investigate partially unfolding in this protein. How to set charge of aminoacids in pdb file, prior to start MD? Any help will highly appreciated. Best -- 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.