expected speed up after fixing atoms?

From: Jose Borreguero (borreguero_at_gmail.com)
Date: Wed Sep 24 2014 - 12:44:48 CDT

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Dear NAMD users,

I have a system where I can fix the positions of more than half the atoms
without affecting much the dynamics I'm interested in. I was wondering what
is (approximately) the expected speed up in the simulation after I do this.
Even more important: What will happen if I run a parallel job with this
system? Will some of the CPU end up doing no calculations if the fixed
atoms are assigned to those CPU's?

Best regards,
Jose Borreguero

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