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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
