e code to do what we need.
> Thanks,
> Zach
>
> On Mon, Jan 21, 2013 at 4:47 PM, Timothy Sirk wrote:
>
> > Zach,
> >
> > Do you have periodic system with charges? For PBC, you might try one of
> the
> > forms in J. Chem. Phys. 131 154107 (2009). Electrostatics a
Zach,
Do you have periodic system with charges? For PBC, you might try one of the
forms in J. Chem. Phys. 131 154107 (2009). Electrostatics are more work...
For Ewald sum and PPPM contribution, you could check refs in
lammps.sandia.gov/doc/PDF/kspace.pdf
We have an upcoming paper that explains in
Dear GROMACS users,
After trying gromacs v4.5, I was inspired to learn more about CUDA. If you
are also learning CUDA (and applying it to gromacs), you might like to try
my gromacs template that has a cuda kernel. Its just a "shell" of program,
but might save you some time.
I'll add it to the use
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