for i in range(1,task.remd_cluster_n+1):
try:
- with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f:
+ with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_'+str(i).zfill(4)+'.pdb', 'r') as f:
line=f.readline()
remd_models.append('Cluster'+str(i)+' '+' '.join(line.split()[-3:]))
except EnvironmentError: