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

neelam wafa neelam.wafa at gmail.com
Tue Aug 28 20:07:25 CEST 2018

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.

More information about the gromacs.org_gmx-users mailing list