[gmx-users] atomname -> atomic number

Daniel Baum baum at zib.de
Thu May 15 08:00:09 CEST 2008


Hi,

I would like to write a reader for *.gro files, but I couldn't find any
information about how to map the atomname to the atomic number. Can
anyone shed some light on this problem? I would be most grateful.

Cheers,
Daniel




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