Hi all,

Could someone just let me know what "tau" (used for normalizing time)

means in "units lj"?

Thank you.

Shigenobu

Hi all,

Could someone just let me know what "tau" (used for normalizing time)

means in "units lj"?

Thank you.

Shigenobu

Shigenobu,

Tau = sigma*sqrt(mass/epsilon)

Tau is the unit of time. Tau = 1 if sigma = mass = epsilon = 1 (fully

reduced units). You could calculate how quantities in reduced units relate

to real units by substituting real values for mass etc.

Pieter

See Allen & Tildesley, appendix B for a discussion of LJ units,

including tau.

Steve