[gmx-users] SASA calculation for one replica in REMD
tasneemkausar12 at gmail.com
Tue Apr 23 11:38:39 CEST 2019
Check gmx sasa -h
It is implemented in Gromacs
On Tue, Apr 23, 2019 at 2:37 PM Shan Jayasinghe <
shanjayasinghe2011 at gmail.com> wrote:
> 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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