Dear Gromacs users, I'm aware that there might be plenty of discussions on this matter, anyway I would like to get your advice. Which is the proper way to know the protonation state that is generated with pdb2gmx? I have downloaded a pdb file from the Protein Data Bank. The structure has no hydrogens, these are added by pdb2mx.
Is this information usually available on the original pdb (like residue names) or in the generated topology? I would like to know where to search. Javier -- ________________________________________ *Javier Luque Di Salvo* Dipartamento di Ingegneria Chimica Universitá Degli Studi di Palerm*o* -- 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.
