GROMACS version:
GROMACS modification: Yes/No
Here post your question
command line to calculate shear viscosity via Einstein and Bulk viscosity via Green kubo relation.
GROMACS version:
GROMACS modification: Yes/No
Here post your question
command line to calculate shear viscosity via Einstein and Bulk viscosity via Green kubo relation.
Take a look at gmx energy, specifically the -visco, -evisco, and -eviscoi flags.