[gmx-users] Double parameters

Mark Abraham mark.j.abraham at gmail.com
Fri Mar 21 15:08:02 CET 2014

No. Your protein parameters will be common to both, and your water-ion
interactions are defined implicitly by whatever you'd choose for their
interactions with protein. Moreover, you'd have no reason to suppose the
combination would work. See


On Fri, Mar 21, 2014 at 2:44 PM, Josip Lovrić <josip7lovric at gmail.com>wrote:

> Hello dear gromacs users,
> lets say that we have 3 kinds of molecules in our system, for example
> water, protein and some ions. Is it possible to have one set Force field
> parameters of protein for  protein-water and other for protein-ions
> interaction.
> Best Regards,
> Josip Lovrić
> --
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list