MREMD different default temperatures for new ff
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 30 Sep 2017 22:56:55 +0000 (00:56 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 30 Sep 2017 22:56:55 +0000 (00:56 +0200)
django_simple/todo/views.py

index f545f1e..9822a30 100644 (file)
@@ -386,12 +386,20 @@ def addmlist(request,task_id):
              task.save()
              return redirect('/')
     else:
+      if task.unres_ff == 'E0LL2Y':
         data= {'name':task.name,'nrep':task.remd_nrep,'multiplexing':
         '["1", "1", "1", "1", "1", "1", "1", "1"]',
         'temperatures':
         '["270", "280", "290", "300", "310", "320", "330", "345"]'
         }
-        form = TaskForm_list(task.remd_nrep,initial=data)
+      else: 
+        data= {'name':task.name,'nrep':task.remd_nrep,'multiplexing':
+        '["1", "1", "1", "1", "1", "1", "1", "1"]',
+        'temperatures':
+        '["250", "260", "270", "280", "290", "300", "315", "330"]'
+        }
+      
+      form = TaskForm_list(task.remd_nrep,initial=data)
     p_type='replica exchange molecular dynamics - advanced options'
     return render(request, 'edit_lista.html', {'form': form, 'task':task, 'p_type':p_type})