[gmx-users] Bonds definition in itp files

[Sina Omrani]

Hi,
I wanted to know how we specify a bond order in our simulation? For
example, if we have a triple bond in our structure between atoms 1 and 2,
is it by length and force constants or we define 1 and 2 bonds three times
in the bond section of itp file?
What if we use a constraint on this bond? because I get better results when
I define the bond three times but haven't seen this method. is it wrong?

Thank you.
Sina Omrani.