Dear All, I had one doubt regarding g_trjconv which I used to center my protein after simulation. I got different diffusion values when I used the .xtc file before and after applying trjconv. Which one should be used? Is trjconv just for visualisation or is necessary for analysis too? Does it change the values or interactions in any way? For example, the diffusion values that I got were Before trjconv After Trjconv Urea - 1.6628 2.089 Protein - 0.0927 0.000108 Water 2.513 2.59
Please advise. Which values should be taken? Regards Apramita -- 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.