[RE]Re: RDF for very different cutoffs

I changed “compute rdf” for each type: compute rdf1 gr1 100 1 2 compute rdf2 gr1 100 2 2 But, it did not work as I wanted. I want the distance range for the first case 0

You’re right - it uses the max cutoff for any pair. But I
don’t see why that is a big deal. If you want more
bins from 0 to 2.5, just use a big number of bins
from 0 to 12. You can get as many bins as you like
from 0 to 2.5, and lots more bins from 2.5 to 12. The
latter will all be zero counts for that pair, and you
can just throw the values away.


2011/5/7 김상락 <srkim@…2608…>