AMBER: PERT.charge problem in xleap

From: Helios Chen <p9890101.mail.ncku.edu.tw>
Date: Fri, 2 Apr 2004 20:10:54 +0800

Dear all, I tyr to imitate the tutorial example "Simple free energy example", but I have no idea why to change the charge on the first perturbed CT to 0.105? Could anybody please tell me how to know the "0.105"? The website address as follows. http://amber.scripps.edu/tutorial/gibbs_box/HTML/xleap_setup_short.html



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Received on Fri Apr 02 2004 - 13:53:01 PST
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