LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] lj to real unit conversion of distance !
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] lj to real unit conversion of distance !


From: Mohammad Tuhin <motuhin@...1442...>
Date: Fri, 25 Aug 2017 16:52:30 -0400

Hi,
I am using DPD simulation with lj style, and has a box size defined as following-

-23.2079441681 23.2079441681 xlo xhi
-23.2079441681 23.2079441681 ylo yhi
-23.2079441681 23.2079441681 zlo zhi

Now, if convert a side of this box (e.g. 46) in real units, it should be, distance = 46* sigma = 46 Angstrom, according to the conversion factors mentioned in the section of 'LAMMPS units'. However, the obtained length scale in real unit does not seem to be sensible for the polymeric system that I am coarse-graining. Hence, it will be much appreciated if someone can, please, shed some light on whether I am missing any dot here.

Sincerely,
Tuhin

~~~
Mohammad Tuhin (Tuhin)
Graduate Student,
Dept. of CBE,
NC State University.


“Don't believe what your eyes are telling you. All they show is limitation. Look with your understanding, find out what you already know, and you'll see the way to fly”- Richard Bach