Hi,
>From your question, it can be assumed that you are using surf command in cpptraj. If you look at the second para of the discussion part in https://amberhub.chpc.utah.edu/surf/, you will get your answer.
Best,
Satyajit
________________________________
From: Sayan Poddar via AMBER <amber.ambermd.org>
Sent: Thursday, 13 October, 2022, 14:16
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Question about sasa values
Dear AMBER developers and Users,
I am trying to calculate solvent accessible surface areas for some
individual amino acid residues of an MD simulation result through cpptraj.
But I am getting negative sasa value in some frames. So is it possible for
sasa to have negative values?
Thank you
--
*with regards*
*Sayan Poddar*
*PhD Research Scholar*
*Department of Biosciences and Biomedical Engineering*
*Indian Institute of Technology Indore*
*India*
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Received on Thu Oct 13 2022 - 03:30:02 PDT
