expected speed up after fixing atoms?

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

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

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:15 CST