Dear Amber users,
I want to simulate a protein having doubly deprotonated histidine (no proton on delta and epsilon positions), since we know this type of Histidine doesn’t exist in force field so how to deal with this. In my protein there are two metal ions also present and for them this doubly deprotonated his works as a bridge. To parameterize the system I first have to introduce this histidine to force field. Please give your valuable suggestions.
Thanks
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Received on Fri May 31 2019 - 22:30:02 PDT
