Hello sir As in the tutorial for umbrella sampling command
make_ndx -f npt.gro you have selected two different groups as Chain_A as 19 and Chain_B as 20 If we have protein-ligand interaction whether we should have single group of protein-ligand complex or we should use two different groups for protein and ligand. Regards Arunima -- Thanking You with Regards. Arunima Shilpi Ph. D Research Scholar(Cancer & Epigenetics) Department of Life Science National Institute of Technology Rourkela Odisha -- 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
