[gmx-users] Lennrd-Jones potential in Gromos force field

[Mark Abraham]

Hi,

How would you define polarity, such that you could measure an interaction
as more or less polar?

Mark

On Thu, Jun 14, 2018, 07:35 <kordzadeh at aut.ac.ir> wrote:

> ​Hi
> I have another question, I used gmx energy to evaluate LJ and
> electrostatic  interaction, as before discussion LJ is meaningless
> physically, is there another module that can predict , polar and non polar
> interactions accurately?
> is this meaningless that you mentioned according to Gromos force field or
> all force fields, I mean a can a force field such as OPLS predict polarity?
> Thanks in advance for your help
> Regarda
> Azadeh
>
> --
> This email was Anti Virus checked by  Security Gateway.
> --
> 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.