或者你仿照這個代碼改改

function y = fitme_diheral( c,phi )

% A1=c(1);

% k1=c(2);

% x1=c(3);

% kBT=443*8.3145/1000;

aa=c(1);

bb=c(2);

cc=c(3);

dd=c(4);

ee=c(5);

ff=c(6);

psi=(phi-pi);

% y=0.5*(f1*(1+cosx)+f2*(1-cos(2*x))+f3*(1+cos(3*x))+f4*(1-cos(4*x)));

y=aa-bb.*cos(psi)+cc.*(cos(psi)).^2-dd.*(cos(psi)).^3+ee.*(cos(psi)).^4-ff.*(cos(psi)).^5;

end

clear;

clc;

load diherals.txt;

data=diherals;

%%avge the theta<0 and theta>0

a=data(1:180,2);

b=data(361:-1:182,2);

avg=0.5*(a+b);

data(1:180,2)=avg;

data(361:-1:182,2)=avg;

p=[24.5156799887984,-1.90007004205358,-1.66217137679272,3.06265999012061,2.33333792446086,-2.48454162655902;];

% data(:,2)=acf(data(:,2));

data3=data;

data3(:,1)=data3(:,1)*pi/180;

for i=1:50

%? ???[p,res]=lsqcurvefit('dihe',p,data3(:,1),data3(:,2));

[p,res]=lsqcurvefit('fitme_diheral',p,data3(:,1),data3(:,2));

%注意修改函數(shù)名dihe

plot(data3(:,1),data3(:,2),'ro');

hold on

plot(data3(:,1),fitme_diheral(p,data3(:,1)));

%注意修改函數(shù)名dihe(p,data3(:,1)

end，

總結(jié)

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