[lammps-users] Still no luck with TIP4P and NPT

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1

Hi Steve

Thanks for your quick reply. Can I just check what outputs will be affected with the use of the hybrid with TIP4P? Is it only the computation of the viral pressure?

If I were to use the TIP4P hybrid with the AIREBO potential, with NVE simulation and temperature control (i.e. a non pressure-control simulation), would the forces and other outputs be computed correctly?

Huck Beng

2

Everything but pressure should be fine. But I don't know
of anyone who has tried AIREBO + TIP4P.

Steve