[gmx-users] SASA calculation

[Pandya, Akash]

I already figured out how to get a SASA value for each residue. But I'm asking if there is any threshold in place where I can determine whether the residue is exposed or buried?

And also is the SASA value for each residue given as the relative SASA in gromacs?

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Bratin Kumar Das
Sent: 22 August 2019 03:45
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] SASA calculation

You can put the residue of your interest inside a .ndx file..Use the .ndx file when you are running sasa command

On Wed 21 Aug, 2019, 11:25 PM Pandya, Akash, <akash.pandya.15 at ucl.ac.uk>
wrote:

> Hi all,
>
> I calculated the SASA for my protein and I got the average area per 
> residue. I was wondering if there was a criteria to determine whether 
> a residue is exposed or buried based on an individual's SASA? Or is it 
> arbitrary? Apologies if I'm being naive, it's just that I've never 
> actually used this calculation before. Thank you for your help.
>
> Best wishes,
>
> Akash
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