[gmx-users] cluster molecules

[Santi Esteban Martin]

Dear gromacs list,

I need to count the number of aggregates cluster of molecules using
some simple criteria like that:
Two molecules are part of an aggregate when their center of mass
are within a certain distance/cut-off.  

But I cannot figure out how to do that using gromacs standard routines.

Does anyone has implemented this or something similar ?
Any hint about were to look for would be appreciated !

Thanks.


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