[gmx-users] Interaction energies between atoms

[lucioric]

 Hello. Yo can do int with g_energy. Before of using this command, you 
 need to add that atom and its interactor (separately) to an index file 
 using make_ndx.
 Best regards.
 On Fri, 15 Feb 2019 10:36:20 +0100, Mark Abraham 
 <mark.j.abraham at gmail.com> wrote:
> Hi,
>
> How would you define that interaction energy? What would you learn 
> from its
> value?
>
> Mark
>
> On Fri, 15 Feb 2019 at 02:26 Sam David <samdav800 at gmail.com> wrote:
>
>> Hello GMX users,
>> I'm simulation a mixture of polymers, water, and hydrocarbons. I 
>> want to
>> calculate the interaction energies of an atom in one of the polymers 
>> with
>> another atom in the system.
>> Is there any way to do it in gromacs?
>>
>> Thank you
>> Sam
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-- 
 M.C. Lucio Ricardo Montero Valenzuela
 Estudiante de doctorado en Ciencias Bioquímicas
 Lab. del Dr. Federico Sánchez (ext. 27666)
 Instituto de Biotecnología, UNAM.