[CP2K-user] [CP2K:19850] Fwd: Free energy surface

[Saurabh Negi]

---------- Forwarded message ---------
From: Saurabh Negi <Unknown>
Date: Monday, January 29, 2024 at 3:48:33 PM UTC+5:30
Subject: Free energy surface
To: cp2k <Unknown>


1. According to this  F(s)=−kBTlogN(s) 
Is it always true that the free energy will be positive?
as N(S) probablity will be less than 0 and it's log will be negative 

2. I am getting different free energy curve from graph.psmp and manually by 
creating histogram. 
can you please share documentation of *graph.psmp *if any

Thank you.

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