control_line = control_line+'pdbref '
if instance.unres_ff =='NEWCT-9P':
- control_line = control_line+'tormode=2 '
+ control_line = control_line+'tormode=2 cart'
type_line = ' reset_vel=0'\
+' t_bath='+str(instance.md_temp)\
control_line = control_line+'pdbref '
if instance.unres_ff =='NEWCT-9P':
- control_line = control_line+'tormode=2 '
+ control_line = control_line+'tormode=2 cart'
cntrl_saxs=''
if instance.saxs_data != '':