[gmx-users] error estimates of free energy calculations

Mark Abraham Mark.Abraham at anu.edu.au
Wed May 16 07:47:06 CEST 2007

David van der Spoel wrote:

> Will do. Of course this is why you get the source code so you can check 
> it. Try that with excel. And actually the source code says that what you 
> are getting is the standard deviation rather than the standard error. It 
> should have been in the documentation of course.
> Check your input
> Check your output

Amen. I just did this sort of checking for auto-correlation function 
calculations with g_energy... (they agreed)


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