Dear List,
I have a protein adsorbed on the DCE (dichloro ethane) interface. I am
trying to analyse contacts of DCE molecules with protein. I tried using
contacts in cpptraj but it gives me total number of contacts. I am
interested in figuring out the residue number of DCE making contact with a
residue from protein. In summary I want to select DCE molecules within 7
angstroms from the protein.
Is there a way to do it in cpptraj? Your feedback is appreciated.
--
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
LinkedIn
Research Gate
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Received on Wed Sep 09 2015 - 01:00:03 PDT
