[gmx-users] Regarding use of harmonic wall model

[Shashank Ranjan Srivastava]

Hello everyone,
I want to use harmonic wall model in gromacs.
So, I have generated an input file using charmm-gui and and using its
production file (production.mdp) to run the simulation but i am getting
that how can use harmonic wall model in it.
My want to make gap between beta-barrel where i want to open up barrel by
distorting the bonds between first and last strand so that I can put new
strand in between.

Please kindly help me for this query if anybody has any idea regarding this.

Thank you



-- 
Shashank Ranjan Srivastava
Molecular Biophysics Laboratory
Department of Biological Sciences,
IISER-Bhopal,
Madhya Pradesh