Hi I have 30 similar amino acid around nanotune and i want to calculate the average distance of all of them(i put all of AA in group of Protein in index file and define them as 30 chain of protein means i have defined them as Protein, Protein2, Protein3,...Protein30 in topol.top ) from (infinite)NT during simulation. i used g_dist but as you now it calculates COM distance of Protein and NT. but the COM of NT is just one point in the NT so g_dist calculate the distance between COM of Protein and NT.(if protein was closer to beginning of NT the distance(that g_dist show) will be much different from when it's in middle part of NT( because at this time Protein is maybe at the top of COM of NT,... )). but i want the distance between Zaxis of NT to average distance of Protein(which is coleceted of 30 similar amino acids). So what should i do? i refer you to this picture(top). https://ars.els-cdn.com/content/image/1-s2.0-S0008622314006691-gr2.sml
Would you please help me? Best Rose -- 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.
