[gmx-users] [ERROR] NI+2 in gromacs simulations

[Edjan Silva]

I inserted the following parameters in the aminoacids.rtp file:


[ NI ]
 [ atoms ]
    NI   opls_411   2.000     0



However, instead of the pdb2gmx command keeping the 2 atoms of NI + 2, two
atoms of Nitrogen are added.

Did I enter the parameters wrong?