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

[Mark Abraham]

Hi,

Did
http://manual.gromacs.org/documentation/2016.3/user-guide/cmdline.html#g-sas
 help?

Mark

On Tue, Mar 28, 2017 at 7:31 AM <spss4 at iacs.res.in> wrote:

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