Re: [AMBER] Looping over a trajectory

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 29 May 2012 10:33:22 -0700

On Tue, May 29, 2012 at 10:29 AM, Lee-Ping Wang <leeping.stanford.edu>wrote:

>
> Regarding appended files, there's the small issue that the user could
> accidentally append a file from the previous run. It makes the most sense
> for the file to be deleted at the start of the calculation, but subsequent
> force dumps should append to the file. Is there a standard way to do this?
>

Sure -- the first time you open the file, open it with the "overwrite"
mode. Open it with "Append" mode every other time.

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue May 29 2012 - 11:00:02 PDT
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