Dear Pappu,
You could use position restraints for the two conformations and switch between
them by gradually shifting the lambda parameter from zero to one.
Kind regards,
Erik
> On 1 Sep 2016, at 12:47, Pappu Kumar wrote:
>
> I want to run MD to simulate conformational change from one protein structure
> to another. But I am not sure how do that in gromacs. It would be like doing
> morphing through MD and see what kind of changed take place around the
> protein. Thank you.
>
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