[gmx-users] g_rms and g_cluster

shahid nayeem msnayeem at gmail.com
Thu Feb 24 14:39:35 CET 2011


Dear All

I want to calculate RMSD of one side chain residue from simulation
trajectory after full backbone alignment as well as translating to
coincide CA of the residue of interest. Is it possible to do with
g_rms both backbone alignment as well as translating to coincide CA.
Another clarification is that in gromacs g_cluster how can I use
greedy algorithm for clustering.
Shahid Nayeem



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