[gmx-users] on the dissociation of protein complex during MD

[Dialing Pretty]

Dear All,
 
Some of the complexes of PDB files in RCSB are not from protein-protein interaction, but from the packing of protein crystal. Thus in solution the "protien complex" may dissociate.
 
However as for the protein are usually very large, and I regard it is difficult to observe that 2 (or more) subunit protein complex dissociate completely during MD simulation.
 
Can you please introduce to me your experience that the "protein complex" sifnificantly dissociate during MD?
 
I am looking forward to getting your reply.
 
Cheers,
 
Dialing
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