form = TaskForm_remd_a(initial=data)
elif '_example_saxs' in request.POST:
data= {'name':task.name,'pdbid':'5UJQ','md_pdbref':True,
- 'md_nstep':200000,'md_lang':'langevin','unres_ff':'E0LL2Y',
+ 'md_nstep':200000,'md_lang':'langevin','unres_ff':'FF2',
'remd_cluter_temp':270,
'scal_rad':4.0,'wsaxs':100.0,'saxs_data':
""" 0.5 1.33868e-02
else:
return redirect('/')
else:
- if task.unres_ff == 'E0LL2Y':
+ if task.unres_ff == 'FF2':
data= {'name':task.name,'nrep':task.remd_nrep,'multiplexing':
'["1", "1", "1", "1", "1", "1", "1", "1"]',
'temperatures':