In [2]:

    

%pylab inline


    

    




Populating the interactive namespace from numpy and matplotlib

In [3]:

    

f2 = open('gyCGLow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g1=np.array(te)
f2 = open('gyRefLow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g2=np.array(te)
f2 = open('gyAALow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g3=np.array(te)
f2 = open('gyaCGLow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g1a=np.array(te)
f2 = open('gyaRefLow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g2a=np.array(te)
f2 = open('gyaAALow.dat', 'r');
lines = f2.readlines();
f2.close();
te = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        te.append([float(p[0]),float(p[1])]) 
g3a=np.array(te)


    

In [7]:

    

plt.figure(figsize=(8,6), dpi=80)
plt.xlabel(r'$t\  (ns)$',fontsize=20)
plt.ylabel(r'$Rg\ (nm)$',fontsize=20)
plt.plot(g1[:,0]/1000,g1[:,1],'k-',alpha=0.2)
plt.plot(g2[:,0]/1000,g2[:,1],'k-',alpha=0.2)
plt.plot(g3[:,0]/1000,g3[:,1],'k-',alpha=0.2)
plt.plot(g1a[:,0]/1000,g1a[:,1],'r-', label="Reproduction Test")
plt.plot(g2a[:,0]/1000,g2a[:,1],'g-', label="Reference CG")
plt.plot(g3a[:,0]/1000,g3a[:,1],'b-', label="All-Atom")
plt.legend(loc='lower right')
savefig("GyraL.png", dpi=200)


    

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