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

ysun at mie.utoronto.ca ysun at mie.utoronto.ca
Thu Jun 12 16:20:01 CEST 2003

Dear users,
Do you think Gromacs can do MD simulation for Epoxy Polymer?

Any other software is suitable for MD simulation on Epoxy Polymer?


Quoting Christoph Freudenberger <christoph.freudenberger at chemie.uni-ulm.de>:

> 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
> -- 
> Christoph Freudenberger
> Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
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