> I have some questions about ensemble. Would you please tell me about NPT or 
> NVT ensemble? What difference about them? 

http://wiki.gromacs.org/index.php/Molecular_Dynamics_Simulations

Catch ya,

Dr Dallas Warren
Pharmacy and Pharmaceutical Sciences
Monash University

A polar bear is a Cartesian bear that has undergone a polar transformation

<<winmail.dat>>

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