AMBER Archive (2009)

Subject: Re: [AMBER] AMBER 10 output

Date: Tue May 19 2009 - 08:53:03 CDT

Hi Sergey,

I dont think any changes in when the output file is written have been
introduced from amber 8 to 10. It still writes to .out whenever there is
something to write. Is it possible that you are seeing some kind of
OS-dependent buffering? Maybe there was a change in your cluster queueing



On Tue, May 19, 2009 3:33 am, Sergey Samsonov wrote:
> Dear AMBERs,
> I have AMBER 10 installed and it runs properly. Previously I used AMBER
> 8 version and I found a difference in output writing: the whole output
> file (.out) is written after the run is completed and not by each step
> of writing. Is it possible to change so that I could look at output
> file each ntpr number of steps as it was by default in AMBER 8?
> Thank you and best regards,
> Sergey
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> AMBER mailing list

Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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