ZeroMomentum-Please help

From: Mehdi Bagheri-Hamaneh (
Date: Tue Dec 19 2006 - 08:20:04 CST

Hi all,

I am trying to study the diffusion of a protein using MD simulations. I
realized that there is a command (ZeroMomentum) in NAMD that removes the
net translation, due to the use of PME, of the entire system. But the
default value for this command is NO, which means by default the total
momentum is not zeroed. My question is that if for my simulation the
value should be set to YES. I am asking this because I am not sure how
this command works and whether it interferes with the diffusion of the
protein. Any help would be appreciated.

Thank you so much,


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