[CP2K:2953] Force fields for water

Teodoro Laino teodor... at gmail.com
Mon Nov 29 19:00:04 CET 2010


Dear Lakshmi,

there are no forcefields out of the box with CP2K - In general you can use 3 point charges (flexible or rigid) or the TIP4P.
CP2K supports also polarizable forcefield - but you need to build your own input file - in all cases.

Teo

On Nov 29, 2010, at 6:51 PM, LS wrote:

> Can someone tell me what are the available classical force fields for
> water? Is there a polarizable force field for water?
> 
> Thanks a lot!
> Best
> Lakshmi
> 
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