Hello,
i want to run a constant ph calculations with amber. Is there a way to specifically select the Lys/CYS/TYR residues to titrate instead of titrating all residues. Because the residue name is the same for those amino acids. If i create a cpin file with all LYS/CYS/TYR my production run is not working and I think it is because there are too many residues.
Does anyone know the answer to his? Thank you in advance!
Best,
Hoang
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Received on Wed Apr 19 2023 - 05:00:02 PDT
