[gmx-users] barium ion simulation

ram bio rmbio861 at gmail.com
Sun Dec 2 21:31:27 CET 2012

Dear Gromacs Users,

I am trying to simulate a protein in lipid bilayer with a barium ion
binding pocket in it, with Charmm27 FF in gromacs 4.5.4. I found that
barium ion is not included under charmm27 ff ions.itp. I was wondering
if there is any way to simulate protein with barium bound using
gromacs and charmm27 ff?


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