Re: [AMBER] Input case causing NaN in sander (and possibly pmemd) (Ambertools17)

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From: David Case <david.case.rutgers.edu>
Date: Mon, 29 May 2017 19:32:38 -0400

On Mon, May 29, 2017, Åke Sandgren wrote:
> I can't see any obvious problems using checkoverlap, but on the other
> hand i'm not quite sure if i'm using it correctly.
>
> The input files are available from
>
> https://web-upload.its.umu.se/dl/f/1496089012_27796/inf-nan-problem.tar.bz2

Got it...thanks!...dac

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Received on Mon May 29 2017 - 17:00:02 PDT