set terminal gif font 'calibri,14' size 800,600 enhanced set output "quantum_scan_fit.gif" f(x) = a + b*cos(2*x) + c*cos(4*x) + d*cos(6*x) + e*cos(8*x) + f*cos(10*x) + g*cos(12*x) set title "Quantum Dihedral Scan" font 'calibri,25' set xlabel "Dihedral Angle (Radians)" font 'calibri,18' set ylabel "Potential Energy (kcal/mol)" font 'calibri,18' set key top left set samples 1000 fit f(x) 'quantum_profile.txt' using 1:2 via a,b,c,d,e,f,g plot 'quantum_profile.txt' with points pointsize 2.5 pointtype 3 title '', \ f(x) with lines linetype -1 linewidth 2 title sprintf("a=%.3f, b=%.3f,\nc=%.3f, d=%.3f,\ne=%.3f, f=%.3f,\ng=%.3f",a,b,c,d,e,f,g)