[CP2K:350] general CHARMM parameters for force field calculation in cp2k

Teodoro Laino teodor... at gmail.com
Thu Oct 18 12:49:00 UTC 2007

you can try the GAFF (generalized amber forcefield) provided with all  
AMBER distributions.
See Amber documentation for more details how to create a FF for a  
general molecule.

On 18 Oct 2007, at 14:04, marc wrote:

> - does anyone know where I can find force-field parameters for these
> two fluids?
> - if not, are there "general force-field parameters" published
> somewhere that can be applied to any kind of substance? Then I could
> use these... Of course, the simulation then would not be so accurate

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20071018/19a39bb8/attachment.htm>

More information about the CP2K-user mailing list