[gmx-users] Re: Re: Re: T->A mutation for a dimer protein

[Lishan Yao]

>> Dear Chris and Mark,
>>       Thank you both for the response. I did the simulation already and Gromacs only gives me the total dH/dl.
> So what's wrong with dividing by two, like I suggested last time? You've
> got two events and you assert that they're independent, so the
> statistics should be easy.
> ---
> I want an error estimation of the free energy change. not sure how if I only know the sum of the two.

If I say the sum of the heights of n independent people is x with 
estimated error of y, you have useful information about the height of a 
single independent person, and its error estimate. Details vary with the 
details.

Not sure how to get y, from block average or BAR? It is generally underestimated by these methods.

Best,
Lishan