[gmx-users] SASA calculation for one replica in REMD

Shan Jayasinghe shanjayasinghe2011 at gmail.com
Tue Apr 23 11:06:54 CEST 2019

Dear Gromacs Users,

I did replica exchange molecular dynamics simulation which contains 25
replicas. Now I want to calculate the solvent accessible surface area of
the surfactant (the first replica in my REMD) I used in my simulation at
298 K. How can I do that?

Can anyone help me?

Thank you.

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