Hi,

I'm looking at types.txt and wondering whether not the internal 
representation of atom types (INT) should be unique? Now there are three 
HO, two H, three C3 etc.

Cheers,
-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
sp...@xray.bmc.uu.se    http://folding.bmc.uu.se

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