Respected sir I want to calculate the distance between protein and ligand after I have run the production step. I used the following command..
g_dist -s md_0_1.tpr -f md_0_1.xtc -o dist.xvg -n index.ndx Groups I selected was Group 1 (protein) Group 13 (ligand) It says the following error Molecule in topology has atom numbers below and above natoms (11793). You are probably trying to use a trajectory which does not match the first 11793 atoms of the run input file. how to debug the error... -- 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
