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

Mark Abraham mark.j.abraham at gmail.com
Thu Jun 14 08:26:43 CEST 2018


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


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
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