Hello, 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 post. https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2009-March/040458.html Can you please direct on what I might be doing wrong? Thank you, Jo -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
