[gmx-users] Photodissociation through MD

[Rajiv Gandhi]

Dear all gromacs users,

In myoglobin system, how we can cut the bond between Fe-C to produce the
photodissociation through MD?.

I have seen there are number of studies over photodissociation and also
I believe that people have used their appropriate parameterization files to
cut these bond.

I am struct with this parameter and cutting bond process. It would be
really appreciated if anyone can give some suggestion/information about
this. Thanks a lot.


Sincerely

Rajiv