[gmx-users] Snapshot taken under certain condition

Arik Cohen acohen at biochem.duke.edu
Tue Oct 6 23:19:05 CEST 2009

Dear users,

Is there a way(in the mdp file) to take a snapshot of only the C-alpha 
atoms along a trajectory if certain condition are met(tested every time 
a snapshot needs to be taken) ?



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