[gmx-users] statistics of MD
Evka Stefanekova
stefanekova at kopernik.cc.fmph.uniba.sk
Tue May 6 08:33:00 CEST 2003
Dear gmx users,
Maybe it's a trivial question, but I would like to know your opinions on
these topics:
Let us have several simulations of the same system prepared. Each of them
has the same parameters, although slightly different initial conditions
(i.e. initial velocities of atoms are slightly different, also some atoms
may be slightly shifted). Let us also assume that the time of run of all
simulations is long enough for the studied phenomenon to finish. Is there
an argument from which we have that these simulations will result into
simillar final states? Isn't it necessary to run several simulations of
the same system and then statistically compute the most probable behavior
of the system? I mean, why we allways run just one simulation of some
system - how is this simulation statistically significant?
Thank you very much for you answers,
Eva.
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