Dear Gromacs Users, I have taken error below after runnig: "gmx grompp -f md-implicit-gpu.mdp -c conf.gro -p topol.top -n index.ndx -o md-implicit.tpr"
GB parameter(s) missing or negative for atom type 'MG' ... Fatal error: Can't do GB electrostatics; the implicit_genborn_params section of the forcefield is missing parameters for 1 atomtypes or they might be negative. How can I calculate Magnesium (MG) parameters for gbsa.itp in implicit simulation? I would greatly appreciate if anyone could kindly help me. Best Wishes Hassan -- 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.
