REGARDING DPD model in lammps

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1

Respected Sir/Madam

I am new to this LAMMPS and not aware of so many things about this.

I was trying to simulate a dilute polymer solution using DPD model containing singe dumble polymer.

But i am unable to get reasonable radius of gyration using lammps compute gyration command it is increasing and increasing say more than 100 even 1000s.

And , Is there any command to compute real bond length during simulation step…

I am attaching my input script and data file …

Please have a look into this and suggest me proper correction or idea…

Looking for your response…

Regards

Harishyam

data.txt (1.33 KB)

in.dpdpaper (1.41 KB)

2

Your Rg is likely bad b/c you have defined a bad model.

I suggest you look in the literature for valid DPD models

and first replicate one of those.

You can monitor bond lengths via the compute bond/local

and dump local commands.

Steve