[gmx-users] g_energy -fee -inf problem

[Mark Abraham]

Naser, Md Abu wrote:
> Hi All User,
> 
> I am getting free energy difference -inf.
> 1st I run a protein in water molecule and then I made a different
> topology file with deleting 4 disulfide bonds and accordingly the angles and
> diherdal angles.

What physical model are you trying to reproduce here?

> Then, I run -rerun for the both and and g_energy -fee, 
> which
> giving me free energy difference -inf.
> 
> Can anyone please point me out where I am making mistakes.

Mark