data= {'name':task.name,'pdbid':'2KMS','md_pdbref':True,'md_start':'pdbstart',
'md_2d':'----EEEEEE-EEEEE-------EEEEEEEEE--EEEEEE-EEEE---EEEEEEEEE-----EEEEEEE-EEE-HHHHH-EEEE-EEEEEEEEE----EEEEEE---EEE-----',
'md_nstep':200000,'md_lang':'langevin','unres_ff':'FF2','md_seed':-39912345,
- 'remd_cluter_temp':280,
+ 'remd_cluter_temp':280, 'min_maxfun':50,
'scal_rad':5.0,'wsaxs':1000.0,'saxs_data':
"""0.7100E-00 0.2036E-03
0.1420E+01 0.4221E-03