Dear Gromacs User, Is it possible to simulate system with two salt concentrations , e.g. NaCl 0.1 mol/L and MgCl2 0.002 mol/liter?
The commands that i am using you can see below: grompp_d -f ions.mdp -c ligand_MG_box_water.gro -p topol.top -o ions.tpr genion_d -s ions.tpr -o ligand_box_water_NaCL.gro -p topol.top -pname NA - nname CL -neutral -conc 0.1 grompp_d -f ions.mdp -c ligand_box_water_NACL.gro -p topol.top -o ions.tpr genion_d -s ions.tpr -o ligand_box_water_NaCL_MgCl2.gro -p topol.top -pname MG -pq 2 -nname CL -neutral -conc 0.002 The message that I got after the execution of the last command is :"No ions to add and no potential to calculate." Is it right way to do it? Thank you in advance. Netaly -- Netaly -- 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.
