[gmx-users] Any advice on finding the binding energy from RNA Protein interaction?

[Thanh Le]

Hi everyone,

I would like to calculate the binding energy/gibbs free energy of my system (protein-rna). I made an amino acid substitution in my protein chain. Thus I would like to calculate the new binding energy to see if it is more stable or less stable.

I used scwrl4 to do the amino acid substitution in the peptide.

If there are other ways to do this, please advice me.

Thanks,

Thanh Le