Dear All, When I use g_select,on giving the command, g_select -select ' resname UREA and within 0.45 of group Backbone' -f 100nc_entire.xtc -s md.tpr -os size_within0.45_urea_backbone.xvg -oi index_within0.45_urea_backbone.dat -oc cfrac_urea_within0.45_backbone.xvg -seltype mol_com
it gives me an average of 9-10 solute molecules around reference protein. But when I use g_trjorder , I get 20-23 molecules on an average for the same cut-off of 0.45nm. Any reason why this might be happening? Thanks, Yours sincerely, Apramita Chand -- 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.
