[gmx-users] simulation of a protein including calcium ion

leila karami karami.leila1 at gmail.com
Mon Oct 18 13:09:27 CEST 2010

Dear Justin

thanks for your attention

in my case calcium ion is bonded to 4 oxygen atoms of C=O group of protein.
yes, Calcium ions are present in nearly all the force fields in Gromacs. but
there are only parameters in * nb.itp and not in * bon.itp. how to obtain
these new parameters for my case?
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