AMBER Archive (2007)

Subject: AMBER: minimization energy query

From: deepti nayar (deepti.icgeb_at_gmail.com)
Date: Thu Mar 29 2007 - 04:55:39 CST

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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