Re: [AMBER] Global Minimum?

From: Dr. Vitaly V. G. Chaban <vvchaban.gmail.com>
Date: Sun, 15 Jul 2012 13:44:49 -0400

The hot geometry cannot be a "minimum" by definition.

-- 
Dr. Vitaly V. Chaban, 430 Hutchison Hall
Dept. Chemistry, University of Rochester
120 Trustee Road, Rochester, NY 14627-0216
THE UNITED STATES OF AMERICA
On Sun, Jul 15, 2012 at 12:45 PM, jit mukherjee <jitiitkgp.gmail.com> wrote:
> I am first minimizing the system(100000 cycles),then heating it up to 300 K
> for 50 ps and then running simulation for 2 ns..
> jit
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Received on Sun Jul 15 2012 - 11:00:02 PDT