Hi,
All the details are in the reference manual, e.g. section 4.9.2
Mark
On Thu, Jul 21, 2016 at 6:21 PM Joel Jose Montalvo Acosta <
montalvo...@gmail.com> wrote:
> Dear David,
>
> Thanks for your answer.
>
> Following the papers you suggested me (also a recent paper titled
> "Direct-Space
Dear David,
Thanks for your answer.
Following the papers you suggested me (also a recent paper titled
"Direct-Space Corrections Enable Fast and Accurate Lorentzā Berthelot
Combination Rule Lennard-Jones Lattice Summation". JCTC 2015 *11* (12),
5737-5746.) plus your explanations I could
On 20/07/16 17:01, Joel Jose Montalvo Acosta wrote:
Dear Gromacs users and developers,
I want to understand how the long-range dispersion correction is
implemented in gromacs when van der waals (vdw) interactions are computed
with cut-off or PME, so I started reading the section 4.9.1 in the
Dear Gromacs users and developers,
I want to understand how the long-range dispersion correction is
implemented in gromacs when van der waals (vdw) interactions are computed
with cut-off or PME, so I started reading the section 4.9.1 in the gromacs
(version 5.1.2) manual to check the involved