check your sol.gro if you have molecules more or less than given in your topology Best
On Sun, Feb 18, 2018 at 12:34 PM, neelam wafa <neelam.w...@gmail.com> wrote: > Dear gmx users, > > I am doing the tutorial of protein ligand simmulation given at > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/com > . > when I give following command, I get an error. > > gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr > > the error says the number of coordinates in the sol.gro file and > topol.top file does not match. How to fix it. > > Help me out please. > > Thanks in advance. > > Regards > -- > 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. > -- 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.