[gmx-users] Furthest distance between 2 atoms

Catarina Santos catsantos at itqb.unl.pt
Fri Jun 8 15:49:03 CEST 2012

Hi everybody,

I am trying to find an easy way to calculate the furthest distance between
the atoms of two groups in a system. I know that g_dist can give me all the
distances I want, but I would have to run g_dist for each possible atom
pair (which is not a fast or a straightforward process).

I have already checked the manual and tried some tools, I did not
find anything that returns all the distances between all the possible pairs
of atoms though. Am I missing something?

Thanks in advance.


Catarina Santos
Research Student
Molecular Simulation Group
Instituto de Tecnologia Química e Biológica
Universidade Nova de Lisboa
Av.da República, Apartado 127
2781-901 Oeiras, Portugal
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