Dear GROMACS users,
As explained in the manual ( page 139, section
6.5/3.3.3) I would like to calculate viscosity of my system ( water) using
g_energy. I opted (40 Mu-X ) from the g-energy selection. But the unit
written on the Y axis of the corresponding xvg file is (kJ mol\S-1\N). I think
GROMACS uses SI unit , which is Pa-Second in the case of viscosity. Then why is
this discrepancy.? Or did I make any mistake?
------I give the command on the prompt:
g-energy -f ener.edr - o viscosity.xvg ;
then chose option 40 ( Mu-X).
system details:
******************
My system consists of 500 TIP4P water molecules, ran for 3.5 nanoseconds at
150K, the ensemble is NPT. The version I am using is 3.3.3
regards,
Jes
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