Re: [AMBER] Interesting findings regarding water density, ntf values, and total potential energy

From: Liao <>
Date: Tue, 23 Nov 2021 15:38:13 -0600

This old thread ( has people talking ntf=8. It seems that the non-bonded interactions are still turned on by the program in many cases. I just tested a no-box, no-cutoff, and igb=6 run, that was the only instance all the potential energies were 0. In the other cases, ntf=8 and 7 differ mostly by whether or not the 1-4 term exists. The van der Waals are exactly the same. But there’s also a difference in the electrostatic energy, ntf=8 is -69123 vs ntf=7 is -68535 for the exact same frame.

> On Nov 23, 2021, at 2:39 PM, Liao <> wrote:

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Received on Tue Nov 23 2021 - 14:00:03 PST
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