[gmx-users] g_dist

gmx-users-bounces at gromacs.org gmx-users-bounces at gromacs.org
Tue Jun 2 16:11:14 CEST 2009


Dear Gromacs Users,

I need to extract all possible distances between any two atom pairs of  
a small hexa- to dodecamer from a trajectory.
The same is necessary for all dihedral angles of this protein. Now I  
wonder if this is possible without defining all of them manually in  
the ndx file and call g_dist for each of them ?
Is there a short answer on that ? Maybe I missed the answer to that  
question in the forum ?!

greetings,
joern





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