Re: [AMBER] How to analyze without printing out mdcrd

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 3 May 2010 13:55:28 -0700 (PDT)

> 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?

Are you sure it does this with ntwx not set?
If it does, you could use /dev/null as your crd output.

Bill

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Received on Mon May 03 2010 - 14:00:07 PDT
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