[gmx-users] Significance of box vectors in GRO trajectory file.

Dawid das addiw7 at googlemail.com
Mon Jun 5 16:25:54 CEST 2017


By the way, why does this vector change during simulation? What if I use
>> exactly the same vector for my whole
>> simulation?
>>
>>
> This is the function of pressure coupling.  If you keep the box vectors
> fixed, that is an NVT simulation.



Aaaah, very well then. Thank you for explaining that!

Best wishes,
Dawid


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