This is the additional/replacement parameter set for SPC/E water MASS ca 12.0 0.360 BOND ca-ca 938.0 1.4000 SPC/E water ANGLE ca-ca-ca 126 120 DIHE X -ca-ca-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6 NONBON ca 1.9 0.0860