----- Forwarded message from sp...@iacs.res.in -----
Date: Fri, 24 Mar 2017 16:24:21 +0530
From: sp...@iacs.res.in
Subject: How to calculate Hydrophobic and Hydrophilic SASA separately in
latest version of gromacs?
To: gmx-us...@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
----- End forwarded message -----
--- Begin Message ---
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
--- End Message ---
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