Turn off the lj term in FENE bond

Dear LAMMPS experts,

I have a doubt regarding FENE bond. FENE bond has two term fene + lj. I wanted to use only fene without lj term.

If i put the epsilon value 0 in lj term then lj term will be off.

Is this a right way to turn off the lj term or this there any other alternative good way to turn off the lj term so that running speed will be increased.

Thanks in advance.

Ankit Agrawal

Computational Biology

That’s a reasonable way to turn off the LJ term. I am guessing

the speed impact is negligble whether you compute the LJ

term or not.

Steve

Dear LAMMPS experts,

I have a doubt regarding FENE bond. FENE bond has two term fene + lj. I
wanted to use only fene without lj term.
If i put the epsilon value 0 in lj term then lj term will be off.
Is this a right way to turn off the lj term or this there any other
alternative good way to turn off the lj term so that running speed will be
increased.

if you have a performance issue, you won't solve it this way. overall,
bonded interactions are usually only a very small part of the total
time spent in a simulation. you can see a breakdown of the time spent
in the LAMMPS output after a simulation has finished.

axel.

Thanks Steve and Axel for your kind reply.