Re: [AMBER] premed.MPI warning

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 11 Jan 2016 21:35:11 -0500

Ah yeah - that would make sense - or in the timings. George can you see what it reports for the final timings in mdinfo and mdout. Does it try to average over a window of zero steps?

> On Jan 11, 2016, at 19:46, Jason Swails <jason.swails.gmail.com> wrote:
>
> On Mon, Jan 11, 2016 at 6:26 PM, George Tzotzos <gtzotzos.me.com> wrote:
>
>> Hi Ross,
>>
>> For what’s worth, in this latest run, the warning was produced once at the
>> end of the simulations.
>>
>
> ​Oh, I'll bet it's in the final timings.... Number of steps left == 0.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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