Hi there, 1. I'm working on MOF (metal organic framewoks) structures. I'd like to know that if in our topology file we get a decimal figure for the qtot, in which step we made a mistake? and how we can rectify this?
2. Another question that I have is that when I want to run this command, gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr, I get this error,Too many warnings (1), gmx terminated, I don't now how to rectify this error. I would be very thankful if anyone could help me. Fatemeh. -- 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.
