LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] SRD particles and lj units conversion
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] SRD particles and lj units conversion


From: Steve Plimpton <sjplimp@...24...>
Date: Fri, 16 Jun 2017 07:54:01 -0600

Do you have other non-SRD particles?  If so, then
they do have a mass, epsilon, etc.  So you those
to do the conversion.  There is no energy term for
SRD/SRD interactions.  If your system is pure SRD
particles, then the only energy is kinetic, i.e. due to
their temperature.  For that purpose they do have mass = 1.0
in LJ units.

I'm CCing Dan Bolintineanu, who may have additional comments.

Steve

On Fri, Jun 16, 2017 at 1:27 AM, shirin shafiee <ngc6543galaxy@...24...> wrote:
Hello all
i have a 3d system with srd particles. i have read manual and the most of messages in the mail list but i couldnt figure out how i should convert units from lj to real SI units when i have srd particles? i've seen the argon problem .in that case we have values of sigma and epsilon and mass from table of argon but when i have SRD particles with no interaction how i can convert units?it said that i should have mass and epsilon and sigma to get units of time and force and ... but what is the unit of energy in my system?
thanks in advance
Regards

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...6297....sourceforge.net
https://lists.sourceforge.net/lists/listinfo/lammps-users