AMBER Archive (2008)

Subject: AMBER: Temperature controlling method in AMBER

From: tinni sona (tinni.217_at_gmail.com)
Date: Tue Jun 03 2008 - 04:43:11 CDT

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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