[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
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.
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