[gmx-users] free binding energy calculation

[Benson Muite]

Probably not so helpful, but have you tried latest version of the
tutorial for Gromacs 2018:

http://www.mdtutorials.com/gmx/free_energy/03_workflow.html

On 11/23/18 8:57 PM, marzieh dehghan wrote:
> Dear all
>
> I want to calculate free energy calculation under gromacs 5.1.4 and used
> the following link
> "*http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/04_EM.html
> <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/04_EM.html>"*
>
> when I run ./job.sh, I confront to the following error:
> * Right hand side '1.0' for parameter 'sc-power' in parameter file is not
> an integer value *
>
> please let me know how to solve this problem.
> Thanks a lot
> Marzieh