From: Aurum Bai (javacfish_at_yahoo.com.cn)
Date: Sun Jun 27 2010 - 23:14:38 CDT
Hello, everyone !
I divide five non-overlapping windows to run the ABF calculation by namd, so I get five PMF data from the final results. But I do not know how to connect the five data correctly and smoothly.
I have checked the paper about matching ABF results (J. Phys. Chem. B 2006, 110, 26448-26460). I do not get detail method too.
Who could tell me the detail way to match the five windows or give me other advice ?
Thanks
Sincerely yours,
Bai
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