[AMBER] Query regarding solvent accessible surface area of individual residue

From: hirdesh kumar <hirdeshs8.gmail.com>
Date: Tue, 5 Oct 2010 14:19:57 +0530

Hi All,
I am interested in calculating the SASA contribution of 3-4 residues of my
interest in each trajectory.. I have the file (mentioned below) but it
calculates the SASA in general. How can I include the residue wise
contribution.

 $AMBERHOME/exe/sander -O -i SASA.in -p prmtop -c mdcrd -o SASA.out
 &cntrl
   imin = 5,
   gbsa=2,
   surften=1
  / 

-- 
Hirdesh
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Received on Tue Oct 05 2010 - 02:00:04 PDT
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