Re: pairlist question

From: Jiali Wang (jwang204_at_binghamton.edu)
Date: Mon Aug 26 2019 - 10:41:02 CDT

Hi,
It’s more clear to provide your configure file in attachment.
Best
Jiali

On Mon, Aug 26, 2019 at 11:35 Rui Chen <rchen6_at_ualberta.ca> wrote:

> Hello,
>
> I am running MD simulation, in my configuration file, for minimization and
> simulation, I set up stepspercycle 10, which means generate pairlists every
> 5 steps. However, I realize normally, stepspercycle is 20. I think it only
> influence the frequency of renewing the pairlist, I don't need to worry
> about it and change it to 20, is that correct?
>
> I checked the log file, I got pairlist warnings. I always use 14 (default)
> as the pairlist distance, except for heating, I used 16. I also tried to
> increase the pairlist distance, but I still got warnings. What should I do?
> Thank you.
>
> Best regards,
> Rui
>

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