[gmx-users] exclude intramolecular coulombic

[Antonia Vyrkou]

Hi, 

If I use energy group exclusions, won't I exclude also the intramolecular
potential energy?
I just want to exclude the intramolecular electrostatics.

thanks
Antonia



>Mark Abraham <Mark.Abraham at anu.edu.au> said:

> Antonia Vyrkou wrote:
> > Hello,
> > 
> > I am trying to simulate a system for which I need to exclude all
> > intramolecular culombic interactions except those included in the pair_list. 
> > How can I do that?
> 
> Perhaps by use of energy group exclusions - see the manual.
> 
> > Also, the pairs defined at the [ pairs ] section are used for both
> > Lennard-Jones and coulombic interaction, are they not?
> 
> I think so.
> 
> Mark
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