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

From: Daniel Roe <>
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,


On Sun, Dec 11, 2016 at 8:13 PM, Bill Ross <> 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
> _______________________________________________
> AMBER mailing list

Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
AMBER mailing list
Received on Mon Dec 12 2016 - 12:00:02 PST
Custom Search