[gmx-users] Fwd: How to calculate Hydrophobic and Hydrophilic SASA separately in latest version of gromacs?

spss4 at iacs.res.in spss4 at iacs.res.in
Mon Mar 27 16:28:11 CEST 2017


----- Forwarded message from spss4 at iacs.res.in -----
   Date: Fri, 24 Mar 2017 16:24:21 +0530
   From: spss4 at iacs.res.in
Subject: How to calculate Hydrophobic and Hydrophilic SASA separately in
latest version of gromacs?
     To: gmx-users at gromacs.org

  Hello,
I am a new user of gromacs. I am trying to calculate SASA for a protein
system. I have used the command

  gmx sasa -f traj.trr -s md.tpr -o sasa.xvg -n index.ndx

  From this I can only get the total SASA but I want hydrophobic and
hydrophilic SASA separately. I know it can be done using g_sas command for
older version. But I am using newer version of gromacs (gromacs-2016.1).
Please help me to solve this problem. Thanks in advance.

Sunipa Sarkar

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