#x,y= np.loadtxt('1L2Y_NH_GB000.stat',usecols=(0,11),skiprows=10000,unpack=True)
#x,y= np.loadtxt('1L2Y_B_GB000.stat',usecols=(0,10),skiprows=30,unpack=True)
g=int(sys.argv[1])
-with open('file_GB000.stat','r') as f:
+with open('md.stat','r') as f:
for line in f:
pass
ncolumns=len(line.split())
if ncolumns==14:
- x,y= np.loadtxt('file_GB000.stat',usecols=(0,10),skiprows=10,unpack=True)
- x1,e,r= np.loadtxt('file_GB000.stat',usecols=(0,3,5),skiprows=0,unpack=True)
+ x,y= np.loadtxt('md.stat',usecols=(0,10),skiprows=10,unpack=True)
+ x1,e,r,gy= np.loadtxt('md.stat',usecols=(0,3,5,12),skiprows=0,unpack=True)
else:
- x,y= np.loadtxt('file_GB000.stat',usecols=(0,6),skiprows=10,unpack=True)
- x1,e= np.loadtxt('file_GB000.stat',usecols=(0,3),skiprows=0,unpack=True)
+ x,y= np.loadtxt('md.stat',usecols=(0,6),skiprows=10,unpack=True)
+ x1,e,gy= np.loadtxt('md.stat',usecols=(0,3,8),skiprows=0,unpack=True)
h,bin=np.histogram(y,bins=50,density=True)
plt.plot(x1,e,'.')
plt.savefig('md_ene.png')
+plt.clf()
+plt.xlabel('step')
+plt.ylabel('radius of gyration')
+plt.plot(x1,gy,'.')
+plt.savefig('md_gyr.png')
+
if ncolumns==14:
plt.clf()
plt.xlabel('step')