c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ################################################################ c ## ## c ## ktorsn.i -- forcefield parameters for torsional angles ## c ## ## c ################################################################ c c c maxnt maximum number of torsional angle parameter entries c maxnt5 maximum number of 5-membered ring torsion entries c maxnt4 maximum number of 4-membered ring torsion entries c c t1 torsional parameters for standard 1-fold rotation c t2 torsional parameters for standard 2-fold rotation c t3 torsional parameters for standard 3-fold rotation c t4 torsional parameters for standard 4-fold rotation c t5 torsional parameters for standard 5-fold rotation c t6 torsional parameters for standard 6-fold rotation c t15 torsional parameters for 1-fold rotation in 5-ring c t25 torsional parameters for 2-fold rotation in 5-ring c t35 torsional parameters for 3-fold rotation in 5-ring c t45 torsional parameters for 4-fold rotation in 5-ring c t55 torsional parameters for 5-fold rotation in 5-ring c t65 torsional parameters for 6-fold rotation in 5-ring c t14 torsional parameters for 1-fold rotation in 4-ring c t24 torsional parameters for 2-fold rotation in 4-ring c t34 torsional parameters for 3-fold rotation in 4-ring c t44 torsional parameters for 4-fold rotation in 4-ring c t54 torsional parameters for 5-fold rotation in 4-ring c t64 torsional parameters for 6-fold rotation in 4-ring c kt string of atom classes for torsional angles c kt5 string of atom classes for 5-ring torsions c kt4 string of atom classes for 4-ring torsions c c integer maxnt,maxnt5,maxnt4 parameter (maxnt=2000) parameter (maxnt5=500) parameter (maxnt4=500) real*8 t1,t2,t3,t4,t5,t6 real*8 t15,t25,t35,t45,t55,t65 real*8 t14,t24,t34,t44,t54,t64 character*16 kt,kt5,kt4 common /ktorsn/ t1(2,maxnt),t2(2,maxnt),t3(2,maxnt), & t4(2,maxnt),t5(2,maxnt),t6(2,maxnt), & t15(2,maxnt5),t25(2,maxnt5),t35(2,maxnt5), & t45(2,maxnt5),t55(2,maxnt5),t65(2,maxnt5), & t14(2,maxnt4),t24(2,maxnt4),t34(2,maxnt4), & t44(2,maxnt4),t54(2,maxnt4),t64(2,maxnt4), & kt(maxnt),kt5(maxnt5),kt4(maxnt4)