Re: [gmx-users] free binding energy calculation

On 11/23/18 4:07 PM, marzieh dehghan wrote: Thanks a lot for your kind answer, I used the same link to calculate free binding energy and confront the mentioned error. Please make sure to use a correct subject, and don't reply to the entire digest. If you're actively asking/answering questio

Re: [gmx-users] free binding energy calculation

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 follow

[gmx-users] free binding energy calculation

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 "* wh