about PMF

From: Kazunori Yamanaka <kazunori_at_pn120.p.chiba-u.ac.jp>
Date: Tue 21 Nov 2000 16:56:27 +0900

I'd like to perform the Free Energy Calculation with
Potential of Mean Force(PMF).
So, I tried to choose a pertubated atom with Xleap, and
to save the file with a perturbation. But I could not do it.

I want to know how to choose a pertubated atom with Xleap.

Please tell me the method in detail.

Thanks for your help in advance.

Kazunori Yamanaka
E-mail kazunori_at_p.chiba-u.ac.jp

Laboratory of Physical Chemistry
Faculty of Pharmaceutical Sciences
Received on Mon Nov 20 2000 - 23:56:27 PST
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