edmund lee wrote:
Dear all, When I am reading about the manual , I found that the g_cluster can cluster structure with different type of methods, example, gromos, monte-carlos and others. Then I also found that g_clustsize computes the size distribution function of the molecules or atoms. (correct me if I am wrong)

My questions are:

Are these 2 programs (g_cluster and g_clustsize) related to each others?

No.

What does the method use in g_clustersize? Is it just depends on the cut-off?

Yes. All atoms i that are within the cutoff distance from another atom j form a cluster together with atom j. This is mainly intended to analyze aggregation phenomena.


Thanks.
Yr comments and suggestions are appreciated.


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David van der Spoel, Ph.D., Professor of Biology
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