[gmx-users] Fluctuations in NVT and NPT resulting plots

Shima Arasteh shima_arasteh2001 at yahoo.com
Sun Oct 21 09:04:15 CEST 2012


Dear gmx users,

As I know, NVT equilibration is done on a ensemble with a constant V . I got the volume plot versus time. The resulting plot has some fluctuations. I don't know what it means?! Does it make sense?

Also I don't know the meaning of the fluctuations in pressure of NPT and temperature of NVT!

Would you please give me an advice?


Thanks in advance.
Sincerely,
Shima 



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