Dear everyone:

I’ve read manual and achieves in maillist but i still confused about how to convert unit.

The why i should do this is that i need to compare my data to someone who have published.

First, if there is two types of particle:

units real

pair_style lj/cut 10.5

pair_coeff 1 1 0.112 4.01 10.5

pair_coeff 2 2 0.224 8.02 21

can i to do convertion like this:

units lj

pair_style lj/cut 2.61

pair_coeff 1 1 1 1 2.61

pair_coeff 2 2 2 2 5.23

That means i implicitly let epsilon=0.112, sigma=4.01. But in manual i read this "LAMMPS sets the

fundamental quantities mass, sigma, epsilon, and the Boltzmann constant = 1 ". Is that means LAMMPS already have a fundamental value to do this?

Second is about to reduced unit of time.

tau = sqrt(epsilon/m/sigma^2) * t

if i want to get a proportional value to real units, does i need to firstly convert femtosecond to SI of second ,

then multiple sqrt(epsilon/m/sigma^2)?

Im sorry to ask this too elementary question but i really confuesd.

Thanks !