[gmx-users] Cluster analysis

IISER_Minal iiser01minal at gmail.com
Fri Mar 9 05:46:29 CET 2012


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.

*Minal More*,
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