[gmx-users] Hypericin dimer affinity

[Hovakim Grabski]

Dear Gromacs users,

I set up a simulation of 4 Hypericin molecules for 5 ns.
2 of them formed a dimer.
Is there any way to find the dissociation constant Kd  and bond energy  of Hypericin ?
Thanks in advance
Hovakim
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