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

Andrew Srimalka Wijesekera 2014s14712 at stu.cmb.ac.lk
Wed Sep 5 06:26:38 CEST 2018

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
Thanks in advance.

More information about the gromacs.org_gmx-users mailing list