[gmx-users] G_MINDIST Question

Anthony Ivetac ivetac at biop.ox.ac.uk
Tue Mar 16 18:46:01 CET 2004

Forwarded from Katherine Cox:

This is a general question about g_mindist with the flag option -pi
which enables you to calulate the minium distance of a group to it's
periodic image.

I wanted to calculate the minimum distance between c-alpha atoms. Is the
result I get out, the minimum distance between c-alpha atoms of the same
residue number (i.e distance of c-alpha atom number 1 to the c-alpha
atom of number 1 in it's periodic image) or alternatively the minimum
distance between a c-alpha atom in one image to any calpha atom in the
periodic image?

Thanks for your help


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