[gmx-users] Calculating the Hydrophobic and Hydrophilic SASA values on GROMACS version 5.1.2

Sudip Das das.sudip37 at gmail.com
Wed Sep 5 11:05:53 CEST 2018

Hi Andrew,
Follow the below link. Hope that helps.

http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0 (follow
the 'g_sas' section)


On Wed, Sep 5, 2018 at 9:56 AM Andrew Srimalka Wijesekera <
2014s14712 at stu.cmb.ac.lk> wrote:

> Dear all,
> I'm currently studying the structural changes and thermodynamic properties
> of a protein structure when binding the ligand. Here I have ran the MD run
> for 50 ns and calculate the SASA value from the gromacs 5.1.2 version.
> According to my knowledge I got only the total SASA value. But I want to
> get the hydrophobic and hydrophilic SASA values seperately from the gromacs
> 5.1.2 version as well. Therefore would you please help me to solve this
> problem.
> Thanks in advance.
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