Hi, It looks like the tool is rounding before the values are written to a field that is using a fixed maximum number of characters (which it should not do). The underlying numbers are still going up by 0.2, but the rounding is poor. I will investigate fixing it.
Mark On Tue, 30 Apr 2019 at 08:11, Dhrubajyoti Maji <[email protected]> wrote: > Dear GROMACS users, > I am using gromacs-2018.3. My system is molten > acetamide. Run time is 50 ns and sampling frequency is 20 fs. I have > calculated MSD from gmx msd command. The msd.xvg file initially contain > timestep of 0.02 ps but from 10000 ps it looks something like this: > 9999.96 19.9453 > 9999.98 19.9458 > 10000 19.9464 > 10000 19.9469 > 10000 19.947 > 10000.1 19.947 > 10000.1 19.9467 > 10000.1 19.9464 > 10000.1 19.9461 > 10000.1 19.946 > 10000.2 19.9459 > and so on upto 50000 ps. I can't understand why is this happening and > how it is affecting my result? > Can anyone help me? > Thanks and regards, > Dhrubajyoti Maji > -- > 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 [email protected]. > -- 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 [email protected].
