[gmx-users] g_sas

[András Ferenc WACHA]

Dear Cristina,

how did you call xmgrace? Did you supply the "-nxy" switch before
area.xvg or volume.xvg?

Regards,

Andras


On 05/28/2018 09:45 AM, Gonzalez Fernandez, Cristina wrote:
> Dear Gromacs users,
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> I want to calculate the hydrophobic and hydrophilic area of a protein by using the g_sas command. I have used:
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> g_sas -f md.xtc -s md.tpr -o area.xvg -tv volume.xvg
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> 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?
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> Any help will highly been appreciated.
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> Best,
>
> C.

-- 
András Ferenc Wacha, PhD
research fellow, CREDO instrument responsible

Biological Nanochemistry Research Group

Institute of Materials and Environmental Chemistry
Research Centre for Natural Sciences
Hungarian Academy of Sciences (RCNS HAS)
Magyar tudósok körútja 2.
H-1117 Budapest, Hungary
Phone: +36-1-382-6427
Web: http://bionano.ttk.mta.hu, 
CREDO SAXS instrument: http://credo.ttk.mta.hu


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