[gmx-users] rmsd b/w average structure and the trajectory

[Anton Feenstra]

Q.Z. wrote:

> Thanks, Anton,
> Now I have used g_cluster to get the "representative strucutre" using 
> option -cl -av. It seems that the program only pick one of the many 
> frames instead of generating an averaged structure. For -av option, what 
> does " average iso middle structure", as written in the manual, mean? Is 
> it just the median structure based on RMSD calculation? Thanks again.

It is what it says: the average over all members of the cluster.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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