On 6/03/2012 2:59 AM, Gavin Melaugh wrote:
Hi All
I was wondering. I assume gromacs writes folded coordinates in the
trajectory files. If so
does it use
rx(i) = rx(i) -boxl *nint(rx(i) / boxl)
to fold the coordinates at each step?
and where does it define the origin (0,0,0)
GROMACS suits itself, and I don't believe there is a simple way to write
what down what it produces.
Mark
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