[gmx-users] Re: berendsen P coupling and fluctuation properties

[Dr. Vitaly V. Chaban]

> Thank you. I am looking at potential energies to calculate vaporization
> heat. I wanted to know how the fact that berendsen does not lead to correct
> ensemble is affecting total potential energy of the system

Nohow.


-- 
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA