Hello,
I am using molecular dynamics simulation to monitor the conformational
transition of human adult hemoglobin from the deoxy- to the oxy-state
and the effect of 2,3-DPG on the binding of oxygen to the hemoglobin
molecule using gromos force field G43a1 in gromacs.
Please i want to know if any one have the force field parameters the DPG
or how to about the parametrisation. The formula for DPG is C3H4O10P2
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