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
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