AMBER: minimization energy query

From: deepti nayar <>
Date: Thu, 29 Mar 2007 16:25:39 +0530

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.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Apr 01 2007 - 06:07:24 PDT
Custom Search