GROMACS version: 2020.2
GROMACS modification: No
In what situation/s should covariance matrices be mass-weighted (-mwa v.s. -nomwa)?
GROMACS version: 2020.2
GROMACS modification: No
In what situation/s should covariance matrices be mass-weighted (-mwa v.s. -nomwa)?
There are no thumb rule whether to use mass-weight or equal-weighted sampling, but you need to mention explicitly in published work if result is mass-weighted or not.