hi GMX users The output of pdb2gmx told me that the protein-ligand complex has a net charge of 0(zero) but at the last line of my[ atoms ] directive in topol.top;"qtot 2.749e-06 ." be read .
1)What does this mean? 2) if my system has a net charge of 0(zero),must iadd ions to my system for neutralize? -- 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.
