Hi, That's hard to say. You'd need to do multiple converged simulations at each set of conditions to know. First, make sure you've made a significant observation of the pressure.
Mark On Tue, Nov 4, 2014 at 6:00 PM, Johnny Lu <[email protected]> wrote: > Hi. > > If my NVT simulation of a protein in 30k molecules of water has a pressure > of 11 bar (error 0.5 bar from g_energy), will the dynamics (not > distribution of conformations) change enough that the mechanism inferred > from this simulation be significantly more unreliable than the mechanism > inferred from a 1 bar simulation? (Will the reviewers cut my paper into > ribbons?) > > Thanks again. > -- > 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].
