[gmx-users] G_MINDIST Question

[Anthony Ivetac]

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

Katherine