unanswered gmx sasa AND gmx energy

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1 year 10 months ago - 1 year 10 months ago #9380 by Guruge
gmx sasa AND gmx energy was created by Guruge
Dear MARTINI users,

I have a system with water and lipids. During the simulation, lipids are aggregated and I want to calculate the solvent-accessible surface area (SASA) for each lipid component and the potential energy of the system. I have the following two questions.

1) Can I use 'gmx energy' to calculate the potential energy? Do I have to consider a scaling factor?

2) How do I calculate SASA for different lipids using gmx sasa tool? How do I get vdwradii.dat file for CG beads?

Appreciate, if someone could help me.

Thank you.
Last edit: 1 year 10 months ago by Guruge.

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