Dear All,
I would like to work on the R61 DD-peptidase enzyme complexed with
penicillin G and cephalosporin C. The antibiotics are covalently bound
and up till now I used gromacs/oplsaa for simulations on the apo enzyme
but I'm struggling with the FF parametrization of the antibiotics.
Can someone help me?
Thank you in advance,
Abel
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