I would check the energy connection between an amino acid and a ligand. After simulation, I run the following command:
g_dist_mpi -f x.trr -s x.tpr -n index.ndx -o pro.xvg Then I choose the bond option (option 1) from the proposed options. Is this true for energy bonding finding between two molecules? thank you Fatemeh Ramezani -- 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
