[gmx-users] exact average distances with g_mdmat

[IsaureCB]

Dear gmx-users,

I would like to select, for each residue of a model, the residues that are
within 3.6 A in average over a simulation. 
 g_mdmat  must create this information at some point while generating the
contact diagrams, but I would like to extract the real values before they
are discretized. I haven't found out how to do this. If sb has any idea or
suggestion, it might be very useful.

Thanks in advance, 

Cheers,

- Isaure Chauvot de Beauchene




--
View this message in context: http://gromacs.5086.n6.nabble.com/exact-average-distances-with-g-mdmat-tp5004009.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.