width="500"> </div>
</li>
+ <li class="list-group-item task-item">
+ <div class="col-xs-10"> RMSD vs. step*replica
+ colored by bath temperature</div>
+ <div class="col-xs-10"> <img
+ src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
+ width="500"> </div>
+ </li>
+
{% endif %}
plt.savefig('remd_ene_rms.png')
+ plt.clf()
+ plt.xlabel('step*replica')
+ plt.ylabel('rmsd')
+ for i in replica:
+ 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.xlim(0,max(s)+max(s)*max(r))
+ plt.savefig('remd_step_rms.png')
x,y,rms= np.loadtxt('file_wham.thermal',usecols=(0,6,4),unpack=True)
plt.xlim(Tremd[1]-10, Tremd[-1]+10)
plt.plot(x,rms,'-')
plt.savefig('remd_rmsd.png')
+