Re: Overflow in LJcorrection?

From: Peter Freddolino (
Date: Sat Dec 05 2015 - 17:57:22 CST

Brian, many thanks for catching this, and Jason, thanks for the heads up on likely cause.
Brian, any luck in fixing this yet? I will take a look tonight if there is not a complete fix already. This needs to get patched and distributed as soon as possible.

> On Dec 5, 2015, at 8:54 AM, Jason Swails <> wrote:
> On Thu, Dec 3, 2015 at 5:26 PM, Brian Radak <> wrote:
> Yes? But in a different way. Now LJAvgA and LJAvgB are extremely large and the correction becomes effectively infinite. I guess that means the overflow is in the double now?
> ‚ÄčIt is *very* hard to overflow a double. You need a number on the order of 10^300 to do that. Double overflow is unlikely.
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher

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