[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?
  
Thanks

YSun


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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