[gmx-users] Question on forcefields?
yuri.from.spb at gmail.com
Sun Feb 8 23:43:37 CET 2015
Is it possible that a model imitate reality indistinguishably?
Particularly the model based on principles (classical mechanics) that
aren't hold quite for a simulated system (molecular dynamics).
2015-02-08 14:18 GMT+03:00 sujithkakkat . <sujithks58 at gmail.com>:
> Dear all,
> Is it possible that a model for a simple molecule (say CO2) which can
> accurately predict macroscopic properties (like density), but still can
> have error in the microscopic behavior, like diffusivity or the pair
> interaction functions ? Please share your thoughts.
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