minimization of receptor + solvent &cntrl timlim=3600000, imin=1, nmropt=1, ntpr=50, ibelly=1, ntf=1, ntb=2, dielc=1., cut=10., scnb=2., scee=1.2, ntc=1, ntp=2, pres0=1., comp=44.6, taup=0.2, npscal=1, maxcyc=500, ncyc=200, &end &wt type='END', &end LISTIN = POUT LISTOUT = POUT &rst iat = 75, 3918, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 5.0, rk3 = 5.0, &end &rst iat = 730, 4442, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 731, 1300, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4050, 1298, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 3449, 4047, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 3463, 4047, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4095, 4444, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4443, 4052, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4102, 4445, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4104, 4447, r1 = 0.700, r2 = 0.800, r3 = 2.400, r4 = 2.500 , rk2 = 25.0, rk3 = 25.0, &end &rst iat = 4446, 3355, r1 = 0.700, r2 = 0.800, r3 = 2.200, r4 = 2.300 , rk2 = 25.0, rk3 = 25.0, &end &rst iat(1) = 0, &end NON backbone atoms of TMHs FIND * * S * * * B * * * 3 * * * E * N * M * C * M * SEARCH RES 1 29 36 64 73 102 115 139 153 184 194 230 242 277 END loops RES 30 35 65 72 103 114 140 152 185 193 231 241 END water1&2 RES 278 279 END lipids+water RES 280 14687 END END