[gmx-users] GROMOS force field for small molecules

[Edjan Silva]

Dear users,

Is the use of the GROMOS force field for small molecules reliable?
I performed complex DNA-LIG simulations and noticed slight distortions in
the binding angles of some functional groups such as the −C
<https://en.wikipedia.org/wiki/Carbon>≡N
<https://en.wikipedia.org/wiki/Nitrogen>  functional group.
Can these distortions be related to some error in the standardization of
the types of atoms, or is it just the inability of the force field to
simulate small molecules?

With Kind regards,

Edjan.