[gmx-users] Gromacs 3.3.3 on Lion Xgrid

Hi I realise this is a question regarding an old version of gromacs on a new OS, but I was hoping that someone could tell me why grompp might fail in 3.3.3 with the following error llvm-gcc-4.2: error trying to exec 'i686-apple-darwin10-llvm-gcc-4.2': execvp: No such file or directory In

[gmx-users] Re: Gromacs on GPU

Justin A. Lemkul wrote: Ours is gcc-4.4.6 on a local machine using Cuda 3.2. On our university's GPU cluster, the installation was done with gcc-4.3.4 and Cuda 3.1. I have not tested Cuda 4.0, though it has recently become available to us so it might be worth a shot to see if this is

[gmx-users] Oscillating Electrical Field

Hi I'm trying to create an oscillating electrical field in my simulation, and I was hoping that someone who had successfully done this in the past could please offer some advice on the choice of parameters in my mdp. Eventually, I would like to create a system with oscillating fields