>True, but thermostats allow temperatures to oscillate on the order of a few K, >and that doesn't happen on the macroscopic level either. Hence the small >disconnect between a system that has thousands of atoms and one that has >millions or trillions. Pressure fluctuations decrease on the order of sqrt(N), >so the system size itself is a determining factor for the pressure fluctuations. > As previous discussions have rightly concluded, pressure is a somewhat >ill-defined quantity in molecular systems like these.
Dose it also imply that it is not a good idea to study the relationship between dimer (multimer) dissociation and macroscopic pressure in this case ? (due to the ill defined pressure). It is hard to be justified if I assign a set of various ref_p= 0.7, 0.8, 0.9, 1.0, 1.1, 1.2 ...., perform independent simulations, and then obtain outcomes of targeted quantities for comparison. > >You could try altering tau_p, but I doubt there is any value in doing so. I would give it a try. Thanks for the hint. Dwey www interface or send it to gmx-users-request@. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- View this message in context: http://gromacs.5086.x6.nabble.com/average-pressure-of-a-system-tp5011095p5011102.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
