Different timestep

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1

Hi LAMMPS users,

I am doing the MD simulation of organic compound, with lot of bonds, angles, torsion parameters, surrounded by Argon which doesn’t have anything other than non bonded parameters.

Can I choose different time steps for integrating Argon and organic compound like 0.5 fs for organic and 5 fs for Argon which saves the my computation time greatly…

thanks in advance.

Regards

karthik kumar

2

Hi LAMMPS users,

I am doing the MD simulation of organic compound, with lot of bonds, angles,
torsion parameters, surrounded by Argon which doesn't have anything other
than non bonded parameters.

Can I choose different time steps for integrating Argon and organic compound
like 0.5 fs for organic and 5 fs for Argon which saves the my computation
time greatly..

not as such. but you can use run style respa
and do the bonded and non-bonded interactions
at different time steps.

axel.