<P>
Dear GROMACS users,<BR>
<BR>
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?<BR>
<BR>
<BR>
------I give the command on the prompt:<BR>
<BR>
g-energy -f ener.edr - o viscosity.xvg ; <BR>
then chose option 40 ( Mu-X).<BR>
<BR>
system details:<BR>
******************<BR>
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<BR>
<BR>
<BR>
<BR>
<BR>
regards,<BR>
Jes
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