AMBER parmtop native support

Laino Teodoro teodor... at gmail.com
Thu Nov 6 23:16:14 UTC 2008


Dear All,

this is just to announce the possibility to use natively the AMBER  
parmtop file in cp2k (without prior digestion from leap2fist).
There are a couple of regtests added that show how to use the .top  
and .crd amber files.
Please, report on this thread any possible problem you may encounter  
with the interpretation of the AMBER files.
I would also like to encourage people that were converting the AMBER  
files through leap2fist to use instead, the built-in
capability of CP2K available from now: it is orders of magnitudes  
faster than leap2fist!
Enjoy, and I will wait for possible feedbacks!
Cheers
Teo




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