[gmx-users] Avoiding Cubic Spline Table non-bonded VdW kernel

[Dave Michael]

Hey guys,

While trying to simulate a pure Martini water solvent (Solvent systems
<http://md.chem.rug.nl/index.php/example-applications2/solvent-systems>) (
water.gro <http://md.chem.rug.nl/images/applications/water/water.gro>,
water.mdp <http://md.chem.rug.nl/images/applications/water/water.mdp>,
water.top <http://md.chem.rug.nl/images/applications/water/water.top>) the
most used kernel for non-bonded interactions is
nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_c

How can I modify the .mdp  to force gmx to use a kernel that computes the
force via pure floating-point computation and which one of these VdW
kernels is the most precise one?

David