[gmx-users] Re: 1-4 interactions free energy calculations

Sonia Aguilera sm.aguilera37 at uniandes.edu.co
Wed Jun 26 21:33:02 CEST 2013

Thank you both, Michael and Justin, 

I have found more documentation and examples about expanded ensemble, so I
think I want to be more documented before try it. Also, I will also follow
Justin’s advice about checking the problem with my charge groups and dd
before I continue with the simulations. As soon as I start my tests, I will
let you know.

Thank you for the guidance, 

Sonia Aguilera
Graduate Assistant
Department of Checmical Engineering
Universidad de los Andes

View this message in context: http://gromacs.5086.x6.nabble.com/1-4-interactions-free-energy-calculations-tp5009364p5009398.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list