Quoting case <case.biomaps.rutgers.edu>:
>> then why defining 'FE' and ... 'Zn' as atom types... where is the rational?
>
> Rationale? We don't need no stinking rationale....
Well when one codes & tries to use BR vs Br, FE vs Zn and typos are
present in leaprc & parm files, this does not help; Anyway R.E.D.
Python will correct all these problems...
Moreover, new users can only be lost between atom names, atom types &
their typos and chemical elements.
regards, Francois
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Received on Mon Nov 18 2013 - 05:00:02 PST
