Gonzalez Fernandez, Cristina
cristina.gonzalezfdez at unican.es
Mon May 28 09:52:05 CEST 2018
Dear Gromacs users,
I want to calculate the hydrophobic and hydrophilic area of a protein by using the g_sas command. I have used:
g_sas -f md.xtc -s md.tpr -o area.xvg -tv volume.xvg
However, looking at the area.xvg with xmgrace, I can only see the hydrophobic area not the hydrophilic. Besides, looking at the volume.xvg I can only see the volume, not the density. Could anyone help me to see both hydrophobic and hydrophilic area of my protein as well as its volume and density?
Any help will highly been appreciated.
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