AMBER Archive (2009)

Subject: [AMBER] Hbond analysis output giving no hbonds

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   Dear Amber Users,
   I am trying to get Hbond analysis using ptraj of an MD run. Since the
   protein is large, the memory needed was huge. So, I am trying to call
   subsets of atoms to reduce memory requirement. It looks like the run is
   going to completion successfully, but the output does not show any Hbonds. I
   am attaching the input and output files. Help is greatly appreciated. Thank
   you.
   Jaya.

• application/octet-stream attachment: analyse_hbond2.ptraj

• application/octet-stream attachment: analyse_hbond2.out

• text/x-vcard attachment: Card for "Jayalakshmi Sridhar"

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• Previous message: Ross Walker: "RE: [AMBER] non standart residue library creation with tleap (Zn atom)"
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