> On Mar 13, 2015, at 11:20 AM, Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk> wrote:
>
> in a sequence like this
>
> p = loadpdb foo.pdb
> solvateBox p TIP3PBOX
> saveAmberParm p solvated.parm7 solvated.rst7
> savepdb p solvated.pdb
>
> why is the origin in solvated.pdb in the box center contrary to the
> inpcrd file?
Historical preference. Use
Set default nocenter on
to avoid the translation
....dac
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Received on Fri Mar 13 2015 - 09:00:03 PDT
