make_ndx -f your.gro/pdb -n your.ndx -o your.ndx LiGA & LİGB: q
in grompp add -n your.ndx 2011/5/12 ahmet yıldırım <ahmedo...@gmail.com>: > Dear users, > > I have two ligands. I created a special index group that merges the protein, > LiGA and LİGB. > > I have the pr.mdp file as the following: > ... > energygrps = Protein LİGA_LİGB > tc-grps = Protein_LİGA_LİGB Water_and_ions > ... > > grompp -f pr.mdp -p topol.top -c em.gro -n index.ndx -o pr.tpr > Fatal error: > Group LİGA_LİGB not found in indexfile. > > I get the fatal error since I dont have a special index group that merges > LiGA and LİGB. should I create two different index file? > > Thanks in advance > -- > Ahmet YILDIRIM > > -- > 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 > -- Best Regards, lina -- 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
