[gmx-users] Using GPU to do simulations

[mircial at sjtu.edu.cn]

Hi everyone, 

I am trying to do some pulling simulations by gromacs (i.e., pull a ligand from its binding site), as the system is large I want to accelerate the simulations by GPU. I want to confirm that, Does GPU simulation support the pulling code of GROMACS? Can I use GPU acceleration to do simulations in which a ligand is pulled out of its binding site?
I am asking this, as I see from the website that the pulling code is not supported by GPU (Supported Features Section of http://www.gromacs.org/Documentation/Installation_Instructions_4.5/GROMACS-OpenMM#Compiling_and_installation_of_GROMACS-GPU_from_source).

Thanks very much for your help. 

With my best regards, 
Ruo-Xu Gu