[gmx-users] Manganese parameters

Lieven Buts lieven at ultr.vub.ac.be
Fri Feb 1 14:44:28 CET 2002

  Unfortunately the protein I am trying to model in
combination with a number of sugars also contains a
calcium (Ca2+) and a manganese (Mn2+) ion. The GROMACS
force fields have definitons for calcium, but not for
manganese. How hard would it be to add this atom type?

Lieven Buts
Vrije Universiteit Brussel

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