Hi everybody,
I know that there is no prescribed answer to my question but I'd still like to ask as my computational power is rather limited (running a 24 core Mac)
In calculating free energies of binding (MMPBSA) is it preferable to run a long trajectory or several smaller ones? I'm dealing with a proteins of ~150 residues.
Your experience is valued
George
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Received on Mon Aug 13 2012 - 14:00:04 PDT
