[AMBER] solvent accessibility

From: Cato, Lee <michael.lee.cato.emory.edu>
Date: Tue, 11 May 2021 16:20:13 +0000

I am trying to determine the solvent exposure for each residue on my protein.

I believe molsurf is the most appropriate way to calculate this. However, I don't know how to calculate per residue rather than per atom. Is there a command that allows a per residue calculation of solvent accessibility?

my current code:
parm wt.prmtop
trajin wt.nc
molsurf out test.dat
run

Thanks,
Cato 

--
Ph.D. Candidate
Biochemistry, Cell, and Developmental Biology Program
Ortlund Lab
Emory University
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Received on Tue May 11 2021 - 09:30:02 PDT
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