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


From: "Bolintineanu, Dan Stefan" <dsbolin@...3...>
Date: Fri, 16 Jun 2017 21:09:23 +0000

You can use the length of SRD bins (hgrid) as a length scale, mass of SRD particles as mass scale, and collision time as a time scale. The combination of those can get you energy scale, etc.

 

Dan

 

From: Steve Plimpton [mailto:sjplimp@...24...]
Sent: Friday, June 16, 2017 7:54 AM
To: shirin shafiee <ngc6543galaxy@...24...>; Bolintineanu, Dan Stefan <dsbolin@...3...>
Cc: LAMMPS <lammps-users@lists.sourceforge.net>
Subject: [EXTERNAL] Re: [lammps-users] SRD particles and lj units conversion

 

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


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