[lammps-users] AUA in LAMMPS

LAMMPS LAMMPS Mailing List Mirror
1

Hello,

i would like to perform dynamic simulations with an Anistropic United Atom model
of polymer.

is it possible in LAMMPS ?

do you have an clues to how I should modify the code in order to achieve this ?

thanks

best regards

L. PETITJEAN

2

I'm not familiar with the anisotropic UA model you refer to,
but UA models can be run via LAMMPS. Since LAMMPS
requires you to input the force field parameters and initial
atomic coords, you can define any level of coarse-graining
you want, with associated FF values.

Steve