Chris Neale Gromacs mailing list content July 18 2008

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This is the image associated with the original post (it's a rectangular box). This images show an analysis of box drift from ~150ns during isotropic pressure coupling in gromacs 3.3. The initial box dimensions were:
19.58000 19.39000 21.04200
That is prior to 200ps of position restrained run, the box-size results of which are not included in this plot.

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This is the image associated with a further post (it's a triclinic box box). The initial box dimensions were:
20.61738 20.61738 14.57868 0.00000 0.00000 0.00000 0.00000 10.30870 10.30870
That is prior to 100ps of position restrained run, the box-size results of which are not included in this plot.