[gmx-users] Doubt about Normal Mode Analysis while scaling nonbonded interactions

[Varvdekar Bhagyesh Rajendra]

Dear all,

Is there any way of scaling the Coulombic and/or van der Waals interactions between a protein-ligand system and simultaneously doing Normal Mode analysis on the perturbed system while scaling, perhaps using free-energy code in Gromacs?

Thanking in anticipation,

Best Regards,

Bhagyesh