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remd ex plot from 0 step
[django_unres.git]
/
files
/
matplotlib_hist.py
diff --git
a/files/matplotlib_hist.py
b/files/matplotlib_hist.py
index
7bbf4e9
..
9521e26
100755
(executable)
--- a/
files/matplotlib_hist.py
+++ b/
files/matplotlib_hist.py
@@
-14,8
+14,10
@@
with open('remd_all.stat','r') as f:
if ncolumns==14:
x,y,s,r,ek,rms= np.loadtxt('remd_all.stat',usecols=(11,3,0,13,2,5),unpack=True)
if ncolumns==14:
x,y,s,r,ek,rms= np.loadtxt('remd_all.stat',usecols=(11,3,0,13,2,5),unpack=True)
+ x0,s0,r0= np.loadtxt('remd_all0.stat',usecols=(11,0,13),unpack=True)
else:
x,y,s,r= np.loadtxt('remd_all.stat',usecols=(7,3,0,9),unpack=True)
else:
x,y,s,r= np.loadtxt('remd_all.stat',usecols=(7,3,0,9),unpack=True)
+ x0,s0,r0= np.loadtxt('remd_all0.stat',usecols=(7,0,9),unpack=True)
hall,binall=np.histogram(y,bins=40,density=False)
hall,binall=np.histogram(y,bins=40,density=False)
@@
-62,8
+64,8
@@
plt.xlabel('step*replica')
replica=range(int(sys.argv[2]))
colors = cm.rainbow(np.linspace(0, 1, len(replica)))
for i,c in zip(replica,colors):
replica=range(int(sys.argv[2]))
colors = cm.rainbow(np.linspace(0, 1, len(replica)))
for i,c in zip(replica,colors):
- yt=x[r==i]
- xt=(s+r*max(s))[r==i]
+ yt=x0[r0==i]
+ xt=(s0+r0*max(s0))[r0==i]
plt.plot(xt,yt,'-',color=c)
plt.savefig('remd_ex.png')
plt.plot(xt,yt,'-',color=c)
plt.savefig('remd_ex.png')