<br><font size=2 face="sans-serif">GMX was use with the newest 3.3 version
..... and I got the point about the negligibility of pV term.</font>
<br><font size=2 face="sans-serif">But I had not expressed properly my
doubts in the previous question: </font>
<br>
<br><font size=2 face="sans-serif"> In an NPT simulation is the exchange
probability among replicas the same as in NVT or does it change ? In my
simulation I have 46 replica NOT equally spaced (from 1K to 3 K), every
couple of replica exchanges actually, but the probability of mine has the
shape of a decreasing exponential, and the real question is: is it normal
or dos it have to be similar to that of a canonical REMD with all the probabilities
falling in the same range of values ? </font>
<br>
<br><font size=2 face="sans-serif">If my exchange probability is fine,
then, I van compute thermodynamic quantities ... but if it's failed I have
to understang exactly what's going on .....</font>
<br>
<br><font size=2 face="sans-serif">Moreover, apart from the already cited
paper about REMC isobaric - isothermal ensamble, I would be interested
in the treatment of the theory and the statistical mechanics of the problem,
but unfortunately the treniest treatement is the one of canonical distributions
... do you have any suggestions regardin bibliography ?</font>
<br>
<br><font size=2 face="sans-serif">Thanx again</font>
<br>
<br><font size=2 face="sans-serif">LM</font>
<br>
<br>