Re: [gmx-users] exact average distances with g_mdmat

2012-12-24 Thread Justin Lemkul
On 12/23/12 10:03 AM, IsaureCB wrote: 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 t

[gmx-users] exact average distances with g_mdmat

2012-12-23 Thread 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