Hi I create a file pr.mdp for equilibrating the water around my molecule and used after that the command
grompp -f pr.mdp -p topol.top -c em.gro -o pr.tpr And I got tthe error: Fatal error: Group protein not found in index file. Group names must match either [moleculetype] names or custom index group names,in which case you must supply an index file to the '-n' option of grompp. Could you explain that error to me please? How to fix it? Greetings Lara -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
