[gmx-users] GBSA + infinite cutoff + GPU in GMX5?

[Sandeep Somani]

Hi

Based on the documentation (
http://www.gromacs.org/Documentation/Cut-off_schemes), it seems that, with
GMX 5, GBSA implicit solvent simulations with infinite cutoff (rcoulomb =
0, rvdw = 0, pbc = no) cannot be done on GPUs. Is that right?

For CPU simulations I am quite happy with 4.6.5!

Best
Sandeep