[gmx-users] Values of coul_lambda for free energy calculation.

neelam wafa neelam.wafa at gmail.com
Tue Aug 28 20:49:36 CEST 2018

Sir Justin and  sir Mark
Please comment on my question. I ll be really thankful to you.

On Tue, 28 Aug 2018, 11:07 pm neelam wafa, <neelam.wafa at gmail.com> wrote:

> Hi gmx users,
> I want to calculate free energy of binding for protein ligand complex. In
> first step of free energy of solvation when i have to create lambda states
> vwd_lambda changes from 0.00 and increases gradually to 1. Can the
> coul_lambda be changed fradually after the vwd_lambda becomes 1.
> Kindly need your suggestions.
> Regards

More information about the gromacs.org_gmx-users mailing list