I hav run energy minimization of a dipeptide in 2 ways
In the first attempt, i have run minimization of the complete
structure and in the 2nd attempt I have fixed a few atoms and then run
minimization. As far as i think, i should get some difference in the
energies of the two runs but what i am getting is exactly the same.
please guide me.
thanks
deepti
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Received on Sun Apr 01 2007 - 06:07:24 PDT
