Hi all i have a protein with six chain. i create an index file that include each chain (chA chB ..) in mdp file i define energy groups such that: energygrps = chA chD
for grompp i used this command: gmx grompp -f md.mdp -c npt.gro -n chains.ndx -p topol.top -o A-D.tpr but i got this error: "Group Non-Protein referenced in the .mdp file was not found in the 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 " what's wrong with this?! thank for your help : ) -- 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.
