[gmx-users] gromos87 to gromos96

Anthony Cruz acb15885 at uprm.edu
Tue Jun 13 22:04:57 CEST 2006


Hi:
How to convert gromos87 ferric iron heme l-j parameters:

4.30115e-5(kJ nm^-12 mol^-1) and 8.86909e-3(kJ nm^-6 mol^-1)

to use it in gromos96 FF?

Anthony



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