Rigid bonds and non-bonded energy

From: Grzegorz Nawrocki (aksonik_at_gmail.com)
Date: Fri Oct 16 2015 - 16:39:48 CDT

Dear NAMD users,
I run simulation with number of steps equal to zero, since I want to
calculate energy of a single structure. Log file says that kinetic energy
is zero, that is fine, but non-bonded energies, both VDW and electrostatic,
significantly depend on rigid bonds are turned on or off. How it is

Best regards,

Grzegorz Nawrocki

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