Hello GMX users, I'm simulating a polymer in water on a solid surface. I'm trying to calculate the dynamic distance between polymer monomers and the surface (top layer of the surface). My reference is the surface and I used this command
gmx distance -f NVT.xtc -s NVT.tpr -selrpos atom -seltype mol_com -oav dist.xvg -tu ns The problem is, this does not give a resonable results in comparsion with trajectory visulization Anyone has done same thing before that could hepe me in this? Thank you Ahmed -- 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.
