[gmx-users] tcaf

[Amin Rouy]

Hi everyone,

Concerning viscosity calculation from TCAF method, I read in manual that:

''The fit weights decay exponentially with time constant w (given with -wt)
as exp (−t/w), and the TCAF and fit are calculated up to time 5 ∗ w.''

So, 5*w is 25 ps for default value. What is the relation between simulation
time 't' and this 5*w? how long should be the simulation time?

will appreciate any respond,