Dear Gromacs users,
I have an electrostatic interaction in my structure between GLU and LYS. After
minimization the distance between the Hydrogen molecule on the Lysine and the
Oxygen on the GLU is reduced to 1.4 A°.
Is it possible to pre-set this distance to be 1.6 A° instead?
I realize that using a distance restraint could be one way to do this. I would
like to know if there is another way to do it that will not affect the final
toa=tal energy term.
Thank you in advance,
Abdullah
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