Dear amber users,
I want to ask some general questions concerning SANDER.
In the SANDER module (amber 7, page 94), it is said that, setting NTT=0 correspods to microcanonical ensemble; the other options don't correspond to common ensembles. Some aspects of the "weak-coupling ensemble" (NTT=1) have been examined, and rougly interpolate between microcanonical and canonical ensembles.
My questions are:
1)what are meant by canonical and microcanonical ensembles?
2) what is meant by weak-coupling ensemble?
I just want to undersatnd these terminology from the begining. So, anyone who has some free minutes can explain(as desciptive as possible) these matters to me. I would be very happy.
Thanks in advance,
Osman
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Received on Mon Mar 22 2004 - 17:53:00 PST
