[gmx-users] How is the difference between Spartan and Gromacs

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Thu Jun 12 18:12:01 CEST 2003

Great, I spent a how thesis working on them and I never realised so
"subtle" differences.


On Thu, 12 Jun 2003, Christoph Freudenberger wrote:

> Alan Wilter Sousa da Silva wrote:
> > What's the different about MM and MD?
> The theory of bonded and nonbonded interactions is the same:
> An emperical forcefield.
> Never the less MM can "only" be used to do geometry optimization,
> normal mode analysis and stuff like that.
> In MD the forcefield is used to solve the equations of motions
> of the system. hence you can study it's dynamics.
> regards

Alan Wilter S. da Silva
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil

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