Re: [AMBER] different frequencies for mdout/mdinfo writes?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 12 Dec 2016 14:46:25 -0500

This is going to require editing the code since output to mdinfo is (I
think) in the same routine as output to mdout: the subroutine prntmd.
As a quick hack you might be able to just comment out all the 'write'
statements to unit 6/mdout to just never write to mdout.

Hope this helps,

-Dan

On Sun, Dec 11, 2016 at 8:13 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> I would love to write mdinfo every 500 steps, and to avoid having my
> server disk fill up, write mdout once a day or so. (This is because part
> of mdinfo is displayed live on the web.)
>
> I tried to figure out what to change (willing to hardwire mdinfo
> frequency), without success on the first go. Advice?
>
> Also sending mdout and mdcrd to /dev/null doesn't work on Ubuntu at least.
>
> Thanks,
>
> Bill
>
>
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Dec 12 2016 - 12:00:02 PST
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