External parameters for Mopac calculations
I want to perform computations on Mg containing systems using Mopac6.0 and
found an article in which a magnesium parameter set has been published for
use with AM1 (i.e. J. Chem. Phys. B, vol. 102(41), 1998, 8083). I want to
plug in these parameters into Mopac6.0 by using the keyword
EXTERNAL=filename with filename the name of a file containing the new
parameter set in the format <parameter> Mg <Value of parameter> and
terminated by a blank line. However, I appear to do something wrong as I
keep getting the message 'SOME ELEMENTS HAVE BEEN SPECIFIED FOR WHICH NO
PARAMETERS ARE AVAILABLE. CALCULATION STOPPED'. Has anybody an idea about
what could possibly be wrong?
Thanks in advance for the help!
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