[CP2K-user] [CP2K:16355] MD failure

Oğuzcan Taneroğlu alchemist.oguzcan at gmail.com
Sat Dec 11 10:22:13 UTC 2021


Hi everyone.
I habe problem about molecular dynamics. When i try to do MD simulation 
with a crystal structure and 3 water molecule, the simulation ends properly 
but I have only one frame. What was the possible reason for that? I think I 
made the trajectory part of the input file properly. 
Thank you for your help.

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