Hello
We dont have the parameters for Fe4S4 cluster in any of the the gomacs force
fields but if we able to make the .itp file for the cluster manually with the
help of Quantum mechanical calculations, can we place the .itp file of fe4s4 in
the include section of the protein .top file later as done in the case of
drug/enzyme tutorial of gromacs.Can we fellow the steps given in the tutorial
for the Fe4S4 cluster?
With regards
Subarna
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