[gmx-users] viscosity calculation using g_energy

Jo jojo412202 at gmail.com
Wed Mar 7 23:02:17 CET 2018


I would like to calculate viscosity of a box of water using g_energy.  I
used the line g_energy -f production.edr -vis viscosity.xvg, where the
viscosity.xvg generated shows bulk and shear viscosity (cP) by time (ps).
However, the value are several orders of magnitude above the correct value
for viscosity.  For SPCE water, the viscosity is ~0.7 cP, where the gromacs
output shows 100+ cP.

I have my system equilibrated and I know that other properties such as
energy and density are calculated correctly.

I believe I am having the same issues as in the person in this previous

Can you please direct on what I might be doing wrong?

Thank you,


More information about the gromacs.org_gmx-users mailing list