That ultimately depends on what physical property you are hoping to show is at "equilibrium". For example, see https://twitter.com/dr_dbw/status/907735156382777344 for how temperature, total energy, volume, density and pressure change with time for an example system. Pressure and temperature you don't see any trends, since those happen in rapid time frames so they have reached equilibrium very rapidly, <<1ns. You can see that density/volume have a change during first 10ns, then things settle down, so they have reached equilibrium within 10ns. Total energy has a slight downward trend, but it is difficult to see for sure. Then if you look at a different property, say solvent accessible surface area, see https://twitter.com/dr_dbw/status/907736554939891712, then you can see that by the end of the 50ns it may have reach equilibrium, but there is insufficient data to say for sure.
Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. On 13 September 2017 at 05:15, ÁLVARO RODRIGO RUIZ FERNÁNDEZ <arr...@ug.uchile.cl> wrote: > Dear users, > > I need to demonstrate that my box is in equilibrium. What is the maximum > slope of the energy or the volume in function of time to demosntrate it? . > Or exist anothe parameter to follow. Thank you very much. > > -- > > *Dr. Álvaro Ruiz * > > > > *Physicochemical Molecular LaboratoryDepartamento de QuímicaFacultad de > CienciasUniversidad de Chile*Mobile: +56-9-51178101 > Office: +56-2-9787443 > arr...@ug.uchile.cl > -- > 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. -- 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.