I have taken the fit for 2ns in Einsteins curve to calculate the diffusion coefficient but when i take the values up to 100 ps for velocity auto correlation i get the matching result...Is it good to do such thing? i will be happy if you guide me. I have attached the graph of VAC herewith. Thanks <http://gromacs.5086.x6.nabble.com/file/n5009582/vac.jpeg>
-- View this message in context: http://gromacs.5086.x6.nabble.com/g-velacc-tp5009541p5009582.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
