Hii,
I am using GIST to calculate energy and entropy of water molecules of
my systems. The entropy value I am getting is negative. Is the entropy,
produced by GIST, solvation entropy or total entropy of water molecules? In
the AMBER tutorial there is no specific indication about this. But in the
paper of GIST (JCP, 137, 044101, 2012) it is said that entropy generated by
GIST is solvation entropy. I am asking this because how I can get negative
entropy of water molecules. Please help.
Sanjib Paul
IIT Kharagpur
Kharagpur, India
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Received on Sat Jun 18 2016 - 05:00:03 PDT
