Dear All users

I want to use this form of morse potential:

U ® = E0 [{1 − exp(−k (rij − r0 ))}^2 − 1]

But we have in lammps this form:

َU® = E0[{1 − exp(−alpha (rij − r0 ))}^2

Is it possible, I want to convert my original form to Lammps form? How can I do this?

Dear All users

I want to use this form of morse potential:

U (r) = E0 [{1 − exp(−k (rij − r0 ))}^2 − 1]

But we have in lammps this form:

َU(r) = E0[{1 − exp(−alpha (rij − r0 ))}^2

Is it possible, I want to convert my original form to Lammps form? How can

I do this?

is this a joke? why should there be a conversion needed?

a.

You mean these form are similar? In right side there is a constant, Does u® include that constant in lammps?

You mean these form are similar? In right side there is a constant, Does

u(r) include that constant in lammps?

where did you learn your MD?

yes, those two functions *obviously* differ only by a constant. that

is grade school level analysis.

... and since the absolute value of the potential energy is arbitrary

for an empirical model, it is irrelevant, which is fundamental force

field knowledge and has been mentioned on this mailing list over and

over again.

axel.

Dear Axel

Thank you very much for quick reply,