Dear Gromacs Users, I get a bit different RMS when I use either minimize.tpr or start-crystal-structure.gro as a reference structure. This is definitely not because some atoms come across the boundary as simulation progresses (I checked that). What could be the reason? Does minimize.tpr use a different reference structure or has a different precision than start-crystal-structure.gro which was created starting from PDB crystal structure?
Best wishes, Dawid Grabarek -- 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.
