[gmx-users] -shell option of g_hbond
Mark.Abraham at anu.edu.au
Mon Sep 26 11:54:47 CEST 2011
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.
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