polymerization simulations

From: L. Signorile (l.signorile_at_erasmusmc.nl)
Date: Thu Jul 09 2015 - 13:06:51 CDT

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Hi,
 I have used NAMD for some time now but just for "basic" MD simulations (NVT/NPT, no harmonic restraints, constant temperature, PBC). I have a general question and I apologize if it is naive. I was wondering if it is possible to simulate the polymerization of protein subunits (like actin or tubulin) with the accompanying nucleotide hydrolysis. Is there any way to combine a "Monte Carlo-like" approach and a quantum mechanics approach with classical MD using NAMD?
Thanks in advance,
Luca

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