Re: [AMBER] CL vs Cl & more...

From: FyD <>
Date: Mon, 18 Nov 2013 13:37:47 +0100

Quoting case <>:

>> 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
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