Modified simulation protocol to try loading files without '.0' suffix

mrdna/simulate.py

@@ -46,7 +46,10 @@ def multiresolution_simulation( model, output_name,
             full_output_prefix = "%s/%s" % (output_directory,output_prefix)
             ## TODO Remove long bonds
             model.simulate( outputPrefix = output_prefix, numSteps=0.05*coarse_steps, **simargs )
-            coordinates = readArbdCoords('%s.0.restart' % full_output_prefix)
+            try:
+                coordinates = readArbdCoords('%s.restart' % full_output_prefix)
+            except:
+                coordinates = readArbdCoords('%s.0.restart' % full_output_prefix)
             output_prefix = "%s-1" % output_name
             model._update_segment_positions(coordinates)
             model.simulate( outputPrefix = output_prefix, numSteps=0.95*coarse_steps, **simargs )
@@ -54,7 +57,10 @@ def multiresolution_simulation( model, output_name,
             output_prefix = "%s-1" % output_name
             full_output_prefix = "%s/%s" % (output_directory,output_prefix)
             model.simulate( outputPrefix = output_prefix, numSteps=coarse_steps, **simargs )
-        coordinates = readArbdCoords('%s.0.restart' % full_output_prefix)
+        try:
+            coordinates = readArbdCoords('%s.restart' % full_output_prefix)
+        except:
+            coordinates = readArbdCoords('%s.0.restart' % full_output_prefix)
 
 
         """ Fine simulation """ 
@@ -66,7 +72,10 @@ def multiresolution_simulation( model, output_name,
         model._clear_beads()
         model._generate_bead_model( 1, 1, local_twist=True, escapable_twist=True )
         model.simulate( outputPrefix = output_prefix, numSteps=fine_steps, **simargs )
-        coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.0.dcd' % full_output_prefix, rmsdThreshold=1)
+        try:
+            coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.dcd' % full_output_prefix, rmsdThreshold=1)
+        except:
+            coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.0.dcd' % full_output_prefix, rmsdThreshold=1)
 
 
         """ Freeze twist """
@@ -76,7 +85,10 @@ def multiresolution_simulation( model, output_name,
         model._clear_beads()
         model._generate_bead_model( 1, 1, local_twist=True, escapable_twist=False )
         model.simulate( outputPrefix = output_prefix, numSteps=fine_steps, **simargs )
-        coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.0.dcd' % full_output_prefix )
+        try:
+            coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.dcd' % full_output_prefix )
+        except:
+            coordinates = readAvgArbdCoords('%s.psf' % output_prefix,'%s.pdb' % output_prefix, '%s.0.dcd' % full_output_prefix )
 
 
         """ Atomic simulation """