Dear Justin, I am following your tutorial about CO2 topology using virtual sites.
I find that in the topology provided, you have not reassigned the particle type as virtual (V) for the C and O atoms (which are treated as the virtual sites in the model). Instead, they are directly selected from the OPLSAA forcefield files, in which the particle type is always 'A'. I was wondering if the choice of particle type has any effect on the results. Please comment. Regards Sujith. -- 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.