PMF version by Sprik and Ciccotti 1998

Liu xiand... at gmail.com
Sun Oct 25 08:45:38 UTC 2009


Hi all,

Is the PMF version in the following paper implemented in CP2K ?,
"Free energy from constrained molecular dynamics"
Sprik M, Ciccotti G JOURNAL OF CHEMICAL PHYSICS 1998, 109: 7737-7744.
That PMF contains the average force plus a correction term.

Any comment is appreciated.

ciao,
Liu


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