[gmx-users] g_analyze doubt

[Justin A. Lemkul]

aiswarya pawar wrote:
> Dear Gromacs Users,
> 
> i have data for the distance between the protein and water atoms within 
> a cut off of 8A for 5ns using the g_dist option. Now i want to use 
> g_analyze on this data. The time frame in the output data is not 
> continuous because of the cut off provided. So i would like to know how 
> would the g_analyze would compute the data.
> 
> 

I'm not clear on what you're trying to do.  g_analyze performs simple 
statistical operations (averages, error estimates) on the input data.  If there 
are discontinuities (which I do not understand the nature of), they come from 
the g_dist data, not what g_analyze is doing.

Please provide a more clear description of what you are doing, including all 
relevant commands, and examples of the data files, if necessary.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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