[gmx-users] distance options for g_cluster
OZENGIN at KU.EDU.TR
Sun Feb 17 00:52:01 CET 2008
I am trying to understand what type of distance can be used with g_cluster?
In the manual, it is written that RMS deviation after fitting or RMS deviation of atom-pair distances can be used to define the distance between structures in the first paragraph.
However, in the "other options" part, two options are indicated for
-dista option, which indicates the type of distance that will be used with g_cluster. They are RMSD of distances or RMS deviation. Consequently, the information in the "first paragraph" does not coincide with that given in the "other options" part for -dista option.
Maybe I could not understand. Could anyone explain this in a clearer way, please?
Thanks in advance
Computational Science & Engineering
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