[gmx-users] avg structure

smith gsmith1 at rediffmail.com
Tue May 18 14:55:16 CEST 2004


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Dear users,

1.Like in amber ,can  a average structure be obtained from the trajectories generated using gromacs for a protein run for ns.

2.using g_cluster can we set the rmsd cutoff and also how are clusters obtained in gromacs?.I get 63 clusters,which i think its strange.how to interpret the result given by g_cluster?



thanks in advance-smith  


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