TIP4P water model

Pankaj Mishra pkmis... at gmail.com
Fri Sep 7 08:50:28 UTC 2012

Dear All, 
             I am interested to use TIP4P/TIP5P water model in CP2K for 
FIST calculation.  But i have noticed (from Fist test directories) that i 
need to define the xyz coordinates for all 4/5 points of a single water 
molecule in the coordinate file. We generally create water box with the 
coordinates of H-O-H only. May i request to you to let me know for any 
method if it exits in CP2K,  for using TIP4P/TIP5P model by just using the 
potential of 4/5 points and xyz coordinates of H-O-H only? Please let me if 
something exists.

Thank you so much    

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