[gmx-users] Anybody using Silica InterfaceFF on Gromacs?

[Alex]

This community is mostly focused on other things. If you have solid 
silica under a non-native (to Gromacs) forcefield and all the bonded 
parameters have been copied correctly, there may be issues with your 
partial charges, LJ parameters, and mixing rules. Also make sure your 
original forcefield uses the same approach to neighbor searching as 
Gromacs does. Also to my knowledge, very few solid-state potentials use 
the childish 1-4 pair interaction.

Alex

On 6/28/2017 11:49 AM, Diez Fernandez, Amanda wrote:
> Hi,
> I converted the InterfaceFF silica parameters to use in Gromacs (and to be compatible with the AMBER forcefield) and have gotten some problems, namely I am getting a slightly bigger equilibrium bond length than I should.
> I was wondering if there were other Gromacs users out there that have used InterfaceFF silica parameters in Gromacs.
>
> Many thanks,
> Amanda