You could set imin=5 and maxcyc=0. This will analyze the MD trajectory file
that was specified with the -y flag without making a new trajectory file.
I'm not sure if you're doing it or not, but you also don't need to specify a
-x mdcrd file to write.
I hope this helps. Good luck!
-Bill
On Mon, May 3, 2010 at 4:47 PM, Dian Jiao <oscarjiao.gmail.com> wrote:
> Hi,
>
> In Amber10, the way to extract energies from a MD trajectory is to specify
> imin=5 and maxcyc=1 in the input file. However, a "minimized" but identical
> trajectory file is generated which seems unnecessary to me. Is there a way
> to analyze without producing any huge trajectory file?
>
> Dian
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Mon May 03 2010 - 14:00:08 PDT
