[lammps-users] Integration with force correction due to trancation in LJ potential

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1

Hi, Tarak:

Please make sure to send follow-up questions to the list.

In general, you can’t model a potential with extra terms without changing the code.

In this specific case, however, since all you’re adding is a constant term, it’s not clear why it’s even necessary. It doesn’t affect either the energy or the dynamics. Couldn’t you just add in the extra –N^2 term during postprocessing?

–AEI

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Hi Ahmed:
I apologize not to send the follow up question to the list.
I was having a wrong intuition that it will affect the trajectory. But you are right, it is unnecessary.

Thanks a lot .

Tarak