[gmx-users] Cluster analysis

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


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*,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120309/0e4e1051/attachment.html>


More information about the gromacs.org_gmx-users mailing list