COORDINATIONNUMBER morethan

[Nicole Smina]

Hello, 

I am using the following plumed.dat file on a system of 6663 particles as part of an umbrella sampling simulation on an ionic colloid system. Just wondering as to the proper interpretation of the "morethan" filter on COORDINATIONNUMBER. I am assuming the code is first determining the number of neighbors around each particle, with cutoff distance of 205, and then calculating the fraction of particles out of all 6663 that have a coordination number more than 7? Is this a correct interpretation?

cn: COORDINATIONNUMBER SPECIES=1-6663 R_0=205 MORE_THAN={RATIONAL D_0=0 R_0=7} 
PRINT ARG=cn.morethan FILE=cn.dat.out

Thanks,

Nicole Smina

[Gareth Tribello]

That is the correct interpretation. 😀

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