Re: [gmx-users] -shell option of g_hbond

2011-09-26 Thread Mark Abraham 

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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[gmx-users] -shell option of g_hbond

2011-09-26 Thread Sajad Ahrari 
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?
regards 
sajad -- 
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