[gmx-users] About MD
xnzgxj at gmail.com
Sun Sep 25 22:41:38 CEST 2011
A question about, in MD, in which situation you can obtain a
structure with lowest energy.
Can MD simulate the kinetics process, and obtain a stuctrue with the
lowest activation barriers?
Typically, are the structures we find with MD determined mainly by
thermodynamics or by kinetics ?
Many thanks for your answers.
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