On 7/31/13 10:19 AM, Mohsen Ramezanpour wrote:
Dear Dr.Justin
I read that article, It was very helpful. Thanks a lot.
After using g_wham with bootstrapping options.
I have got an averaged PMF profile (like Fig.2C in that article) and
an standard deviation (like Fig.2D In that article) which obtained in
this way.
As you see, the standard deviation is equal to zero at Z=1.5 nm
(because I defined all PMFs as Zero at that point) and it is around 2
kj/mol in Z=0.25
Since I am interested to Gibbs Binding Free Energy(GBFE) (the
difference between the Gibbs energy of these points, Z=.0.25 &1.5 nm),
Is it right to say the error for estimating of GBFE is 2 kj/mol ?
I would suggest you do a bit of reading about propagation of error, and you will
have your answer.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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