charged system

Nicolás Marcelo Rozas Castro nicola... at ug.uchile.cl
Wed Aug 22 18:04:34 UTC 2018


Dear CP2Kers,

i want to run a MD calculation in witch the system has positive charge. To 
be more specific a solvated organic cation, but without the counter ion. is 
this posible? because i know that in quantum espresso and VASP this can be 
done without problems. And what option i must change, compared to a normal 
MD in a neutral system?
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