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

[Andrew Srimalka Wijesekera]

Hi Supid,
Got the point. Thanks a lot.

On Wed, Sep 5, 2018 at 2:05 AM, Sudip Das <das.sudip37 at gmail.com> wrote:

> 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)
>
> Regards,
> Sudip
>
> 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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