[gmx-users] g_mindist -pi option

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jun 12 10:24:38 CEST 2007


andrea spitaleri wrote:
> Hi again,
> since I did not get answer I double checked my trr file. In case I calculate the minimum distance of
> the periodic image for each component of my complex, I get reasonable value of it (3.0 and 2.9 nm),
> whereas if I consider the whole system (protein) I get this strange result of 0.17 nm.
> Any clue?

Have you looked at your structures? g_mindist just might be right :-)

Mark



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