Hi,
I am using harmonic style for both bond and angle potentials for water. I assumed I can use k and r0 and teta from TIP3P water model of manual. am I right?
when I am using bond_coeff 1 450 0.9572 and angle_coeff 1 55 104.52, the error is incorrect args for coefficients. what are right coefficients?
I hope to hear from you.
Thanks,
Fateme
The problem is not the numbers themselves, but probably the order/format that
you are listing them in - without the lines from your input script,
it's impossible
to tell.
Steve