[gmx-users] g_analyze doubt

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 1 14:18:58 CET 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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