[gmx-users] vir term in g_energy

Moultos, Othon othon.moultos at qatar.tamu.edu
Thu Nov 12 16:50:20 CET 2015

Hi all,

I am trying to calculate the pressure from the kinetic energy the volume and the virial as written in the manual. I get the terms from the g_energy for the xx and I do (3/ (2*V) ) * (Ekin-Vir_xx) and wait to get the pxx but I don't. Is there something obvious I miss?


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