[gmx-users] How DispCorr influsnces pressure

[Dr. Vitaly V. Chaban]

Dear all:

Could anybody comment about why "DispCorr=EnerPres" influences
pressure so drastically? For certain system of liquid/vapor interface,
we get P_zz (perpendicular to the interface) = -7 (with correction)
and +4 without correction. The statistics is a few nanoseconds, so
this cannot be just a result of large fluctuations.

Thanks in advance.

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