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

Ali Alizadeh ali.alizadehmojarad at gmail.com
Sun Oct 21 20:11:13 CEST 2012


Dear Justin

As you said, fluctuation of v is normal in npt ensemble, How can i
represent my density result(i take samples in each frame)?

In your opinion are my results reliable?  Total number of my molecules
is constant all of the simulation time,

volume is changing. Will i get  logical number density profile?

-- 
Sincerely



More information about the gromacs.org_gmx-users mailing list