On 26/09/2011 5:19 PM, Sajad Ahrari wrote:
Dear users
how can I use -shell option with g_hbond command? I wish to find h-bonds around a particular atom in a definite distance. how can I introduce the index file and cut off distance to it?


See g_hbond -h. You give the radius with -shell and the atom in the group.

Mark
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