[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,


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