Hi everyone,
In gaff.dat, there are some atom types being described as "Inner Sp2
carbons in conjugated systems" and "Sp2 N in pure aromatic systems"?
Does the former mean the two middle carbons as in C-C=C-C? And what
does "pure aromatic" really mean?
Thanks for any suggestion,
Yun
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Received on Mon Dec 03 2012 - 11:00:03 PST
