Hi Giulio,
look at this page on the Amber site to see what is currently available and
what files to load:
https://ambermd.org/AmberModels_ions.php
Also make sure you are using the most recent AmberTools.
On Thu, Feb 22, 2024 at 9:56 AM Giulio RASTELLI via AMBER <amber.ambermd.org>
wrote:
> Dear all,
>
> I would like to add 12_6_4 LJ parameters to the topology file describing an
> enzyme containing Zn++ and K+ ions.
> The topology was prepared with the ff19SB force field and the OPC water
> model.
> In parmed I get the following error:
> LJ12_6_4Error: Unrecognized water model OPC; pick one of the following:
> TIP3P, TIP4PEW, SPCE
>
> Is it possible to add the 4r term when using the OPC water model?
>
> Thanks,
> giulio
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 23 2024 - 11:30:03 PST
