On Thu, Sep 23, 2010, Laura Perissinotti wrote:
> Hi, I'm doing molecular dynamics (pmemd) for a dimer protein, each monomer
> has about 400 residues. I would like to know if it is possible to do the MD
> only for one monomer and keep the other frozen during MD (like a rigid body)
> in order to save computing time.
> I won' t save any time, Is that right?
You are correct: you can keep one monomer fixed, but that won't save any
computing time.
...regards...dac
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Received on Thu Sep 23 2010 - 13:30:10 PDT
