[gmx-users] Interaction energies between atoms
lucioric at ibt.unam.mx
Fri Feb 15 18:08:57 CET 2019
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
On Fri, 15 Feb 2019 10:36:20 +0100, Mark Abraham
<mark.j.abraham at gmail.com> wrote:
> How would you define that interaction energy? What would you learn
> from its
> 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
>> another atom in the system.
>> Is there any way to do it in gromacs?
>> Thank you
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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.
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