[gmx-users] qasi-harmonic entropy calculation
Naser, Md Abu
mn2 at hw.ac.uk
Thu Oct 18 13:40:58 CEST 2007
Hi all user,
I have calculated entroy over time from eigenvalue(g_covar) and
the result shows that the entropy decreasing towards zeo. The results
is ok as far as it decreases. But I do not understand why it is approaching
to zero towards the end of the simulation. Can anyone explain why?
I would appreciate your response.
School Of Life Sciences
Edinburgh EH14 4AS
Email: mn2 at hw.ac.uk
Fax : +44(0) 131 451 3009
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