On Wed, Dec 18, 2013, Biao Ma wrote:
>
> I noted the size of restart file for minimization is about half of which
> produced by heating MD,
> Is this correct?
> -rw-r--r-- 1 mabiao users 80K Oct 9 16:41 min.rst
> -rw-r--r-- 1 mabiao users 158K Oct 9 16:50 heat-100ps.rst
Yes, this is correct: minimization files just have coordinates; restarts from
MD runs have both coordinates and velocities.
...dac
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Received on Wed Dec 18 2013 - 05:00:02 PST
