ntwx for remd (trajcache)

[django_unres.git] / files / matplotlib_hist.py

diff --git a/files/matplotlib_hist.py b/files/matplotlib_hist.py
index 36b55aa..6bf943f 100755 (executable)
--- a/files/matplotlib_hist.py
+++ b/files/matplotlib_hist.py
@@ -92,7 +92,7 @@ if ncolumns==14:
     yt=rms[r==i]
     xt=(s+r*max(s))[r==i]
     tt=x[r==i]
-    plt.scatter(xt,yt,c=tt,edgecolors='face',s=0.1,cmap=cm.rainbow)
+    plt.scatter(xt,yt,c=tt,edgecolors='face',s=0.1,cmap=cm.rainbow,vmin=Tremd[0],vmax=Tremd[-1])
   plt.xlim(0,max(s)+max(s)*max(r))
   plt.savefig('remd_step_rms.png')
   
@@ -102,7 +102,7 @@ x,y,rms= np.loadtxt('file_wham.thermal',usecols=(0,6,4),unpack=True)
 plt.clf()
 plt.xlabel('bath temperature [K]')
 plt.ylabel('heat capacity')
-plt.xlim(Tremd[1]-10, Tremd[-1]+10)
+plt.xlim(Tremd[0], Tremd[-1])
 plt.plot(x,y,'-',color=c) 
 plt.savefig('remd_cv.png')