Hi User:
I have a little question about the LJ parameters. If I download a molecular
topology from the site or build a new
molecule from parameters in the literature that have new atom types with new LJ
parameters, how the combinations of LJ
parameters will be done between this new LJ and the available in the
ffG43a1nb.itp?? I have to make the conbination with
the correct mixin rule and add to the ffG43a1nb.itp manually or the code will
generate the combinations???
Thanks.
Any help will be appreciated
Anthony
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Antes ahora y siempre COLEGIO
University of Puerto Rico at Mayaguez
http://www.uprm.edu
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