Hi All,
I am wondering whether the Nose-Hoover chain thermostating or the 'extended
phase space' approach implemented in AMBER.
Although computationally expensive, but this is possibly the best
non-Hamiltonian MD scheme capable of generating proper NVT or NPT ensemble
distribution.
regards
madhurima
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Received on Wed Jun 04 2008 - 06:07:40 PDT
