Hi simulators,

i am interested in calculate the fractional free volume averaged over MD simulation runs at different temperatures. FFV use to be calculated according to:

FFV= (Vs-1.3*Vwalls)/Vs

So from atom,volume tool I have got the occupied volume in cubic angstroms, using radius=0, that should be equal to Vwalls but how can it be converted to Vwalls in cm3/mol ?

thanks in advance!

Regards,

Jav.