[gmx-users] Grid Spacing

Mark Abraham mark.j.abraham at gmail.com
Mon Jul 3 09:45:50 CEST 2017


One issue here is that the parametrisation was not done with PME, so you
need to look at how people have used it since, and how good their results
were for systems similar to yours. Many GROMOS forcefield users prefer
reaction field, which can be good enough for small solutes in homogeneous
solvent. I would start with papers by eg Alessandra Villa, Alan Mark,
Tsjerk Wassenaar or Wilfred van Gunsteren.


On Mon, 3 Jul 2017 09:16 Nikhil Maroli <scinikhil at gmail.com> wrote:

> Hi,
> I think you need to refer the original papers for the ff.
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