source leaprc.ff96 h1=loadpdb mN2.pdb bond h1.124.SG h1.129.SG bond h1.175.SG h1.193.SG bond h1.183.SG h1.230.SG bond h1.232.SG h1.237.SG bond h1.278.SG h1.291.SG bond h1.280.SG h1.289.SG bond h1.318.SG h1.337.SG bond h1.421.SG h1.447.SG solvateBox h1 TIP3PBOX 8 saveamberparm h1 mN2W.top mN2W.crd quit