Hi, Alex,
Thank you for your reply. Could you please explain more why “the distance between the same group is always 0”? The same group doesn’t mean the same atom, so why is the distance always zero?
I am thinking to simulate polymer gel, so I need a spring potential between some atoms (the same atom type and the same group). Could anyone give me a suggestion how to simulate a polymer gel? Thanks!
All the best!
Dongsheng
Hi, Alex,
Thank you for your reply. Could you please explain more why "the
distance between the same group is
_always_ 0"? The same group doesn't mean the same atom, so why is
the distance always zero?
because the spring force is computed between the two centers
of the two groups and then evenly distributed amongst them.
I am thinking to simulate polymer gel, so I need a spring potential
between some atoms (the same atom type and the same group). Could
anyone give me a suggestion how to simulate a polymer gel? Thanks!
what you describe is to use a harmonic potential between
individual atoms. please have a look at the 2d-micelle
example of the lammps distribution.
cheers,
axel.