X atom kind in Force Filed parameter

Luca bellu... at unisi.it
Thu Oct 4 09:36:48 UTC 2007

Hi all,
I have some problem with my "planar ring" system in FIST MD.
PSF file generated and tested with other soft...it is Ok.
Are The definition like:
X   C A  CA  X    3.62500000     2   180.0"
right ..or I should write all atom name and all combination?


More information about the CP2K-user mailing list