[gmx-users] GPU - protein in water

[Steven Neumann]

Dear Gmx Users,

I have on the HPC cluster installed  Gromacs VERSION
4.6-GPU-dev-20120607-7ce3372 (called gromacs 4.6-hybrid-beta). I want
to simulate chain of 80 residues in explicit solvent model using GPUs.

Has anyone simulated the system like this under this version and can
advise about mdp options? I know I have to use Amber or Charmm
(-nocmap), Andersen thermostat, pbc=xyz. Any other requirements?

Can I use tpr file for mdrun produced by Gromacs 4.5.4?

Thank you,

Steven