[CP2K:6932] How to use pdb format coordinates ?

Kristof Karhan kristof... at gmail.com
Mon Aug 31 10:37:27 UTC 2015

an '@INCLUDE' will probably not work.
However you can use the keywords 'COORD_FILE_NAME' and
'COORD_FILE_FORMAT' to let cp2k read pdb files. You may have a look at
the manual for further information and a list of available file formats.
For these kinds of quesitions it is a very good source.


2015-08-31 12:28 GMT+02:00 Houwen <linu... at gmail.com>:

> As the title above, can I use include 'xxxxx.pdb' to apply the pdb format
> coordinates in CP2K input ?
> Best Regards
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