[AMBER] Solvent accessible surface area (SASA) calculation in CPPTRJ

From: anu chandra <anu80125.gmail.com>
Date: Thu, 20 Aug 2015 17:35:31 +0100

Dear Amber users,

I have carried out a simulation of dimeric protein (Protein A- Protein B)
and I am trying to calculate the exposed area (SASA) of Protein A in
presence and absence of ligands. I have noticed that there are two
different SASA methods - surf and molsurf - available in CPPTRAJ. Is it
right to using these methods for calculating the SASA in my case?. If so,
which one of these methods can give a more reliable data?

Many thanks
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Received on Thu Aug 20 2015 - 10:00:03 PDT
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