Hello, I would like to do cluster analysis in gromacs on my system which consists of a polymer and solvent . I would like to know how the solvent molecule surrounds around polymer and how many. Can anybody help me out that how to start with or use g_cluster or g_clustsize in gromacs. Also there are different methods available like linkage, jarvis-patrick, monte-carlo, diagonalization or gromos so which would be better to use.
Thanx *Minal More*,
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