AMBER: Ptraj hbond analysis

From: Achuth Prabhu <>
Date: Tue, 5 Jun 2007 15:51:54 +0100 (BST)


   I am trying to do intramolecular hydrogen bond
anlysis of my system (residue <1> in water). In this
case I want all the H atoms to be hbond acceptors
where as there are onle some donors. I specified the
donors correctly and done the intermolecular hbond
analysis. I wanted to know if threre is any easy way
to set all the hydrogens in <1> as acceptors. <1>
contains hydrogens attached to nitrogen carbon and
oxygen atoms.

Thank You.


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Received on Wed Jun 06 2007 - 06:07:32 PDT
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