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
Chiba-University
Received on Mon Nov 20 2000 - 23:56:27 PST
