Hello,
I am wondering if anyone could give some details about the
minimisation process in AMBER.
For example in Gaussian03 for the minimisation four criteria are
looked , which involve average and maximum forces as well as maximum
and average displacements.
How does AMBER decide if the molecule is optimised.
Thank you
Majeed Shaik
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Received on Wed Sep 10 2008 - 06:07:22 PDT
