> > Pressure is incredibly noisy, and you're going to get a distribution of values that varies wildly. Think generally about the statistics: if you were given three averages and standard deviations of -5.5 ± 85, -0.3 ± 93, and 2.0 ± 96, would you be able to say that they are significantly different from 1?
That really depends on the number of statistically independent observations in the samples. Without those numbers, the question is pretty much meaningless from the point of view of statistics. In a simulation of 100 ps the number of uncorrelated frames is pretty low. Cheers, Tsjerk -- 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.