editconf -f OneEthane -o ethane_0365 -bt cubic -c -density 10.97555 genbox -cs ethane_0365 -o ethane_0365_125000 -box 76.87 grompp -f md -po out -c ethane_0365_125000 -p ethane_125000 -o ethane_0365_125000 -np 32 -sort -shuffle (note: 10.97555 g/l ethane are 0.365 mol/l)