Dear Sir,
I use AMBER14 to MD simulation, and then analyse the result. when analysing hydrogen bond, I use the ptraj script named "cpptraj.hbond.in" that is gained in the website
http://www.amber.utah.edu/AMBER-workshop/London-2015/Hbond/. Note that the protein/ligand complex I investigate include water molecule. However, I found the hydrogen bonds formed by residue and water is not included in the result. I donot know how to do. Please help me. THANK YOU VERY MUCH! Looking forward to your reply.
Sincerely,
Liyan
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Received on Mon Jun 27 2016 - 22:00:03 PDT
