Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short

From: Ray Luo, Ph.D. <ray.luo.uci.edu>
Date: Tue, 1 Nov 2011 17:50:50 -0700

Which amber release are you using? This shouldn't be a problem any
more in the latest release ... i.e. no cut off was used at all ...

All the best,
Ray

On Tue, Nov 1, 2011 at 12:41 PM, manikanthan bhavaraju
<manikanthanbhavaraju.gmail.com> wrote:
> Found the pb_atmlist in the pb_list.f
>
> where it says
> if (eclose + pclose + sclose + nclose + cntr > maxnba) then
>         write(6, '(4x,a,i8)') 'PB Bomb in pb_atmlist(): maxnba too short'
>         call mexit(6, 1)
>
>
>
> Didn't understood the meaning of eclose, pclose etc. Changed the values of
> these variables, still getting the same error.
>
>
> mani
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Received on Tue Nov 01 2011 - 18:00:04 PDT
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