[gmx-users] Using two integrators in energy minimization

Abhinav Agrawal abhv.agrw at gmail.com
Wed Apr 3 17:07:07 CEST 2013

I want to use both steepest descent and conjugate gradient in my energy
minimization. I need the system to use steepest descent for a given number
of steps and then switch over  to conjugate gradient. Can anyone please
suggest how I can do this? How should I make the em.mdp file

Thanks in advance.

More information about the gromacs.org_gmx-users mailing list