Van Hove Function Calculation

GROMACS version: 4.5.5
GROMACS modification: No
I want to calculate the Van Hove Function, I have used the g_vanhove command. So, I am curious to know that which part (self or distinct) is calculated through this command. The Actual Van Hove Function consisting of two parts (self or distinct) and we can separate them to calculate the self part and distinct part.

Thank you

Hi Dalip,

it’s the “self” part, see lines 338 and 371 here

As far as I know, there is currently no functionality in gromacs to calculate the “distinct” part.


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