[gmx-users] Furthest distance between 2 atoms

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jun 8 16:02:34 CEST 2012

On 8/06/2012 11:49 PM, Catarina Santos wrote:
> 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?

g_mindist -max with both groups the same?


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