simulated annealing protocol, 22 ps 
 #                                                                              
 &cntrl                                                                        
    nstlim=22000, pencut=-0.001, nmropt=1,
    ntpr=200, ntt=1, ntwx=200,
    cut=15.0, ntb=0, vlimit=10, rgbmax=15.0,
    ntb=0, ntc=2, ntf=2,
    igb=1, saltcon=0.2, offset=0.13,
/                                                                        
 &ewald
    eedmeth=5,
 /
#                                                                              
# simulated annealing algorithm:   
# H bonds held w/ SHAKE
# generalized born solvent model                                     
#                                                                              
#from steps 0 to 5000: heat the system to 600K
#from steps 5001-18000: re-cool to low temperatures with long tautp
#from steps 18001-20000: final cooling with short tautp
#                                                                              
 &wt type='TEMP0', istep1=0,istep2=5000,value1=600.,
            value2=600.,    /
 &wt type='TEMP0', istep1=5001, istep2=18000, value1=600.0,
            value2=100.0,     /
 &wt type='TEMP0', istep1=18001, istep2=20000, value1=0.0,
            value2=0.0,     /
#                                                                               
 &wt type='TAUTP', istep1=0,istep2=5000,value1=0.4,
            value2=0.4,     /
 &wt type='TAUTP', istep1=5001,istep2=18000,value1=4.0,
            value2=4.0,     /
 &wt type='TAUTP', istep1=18001,istep2=19000,value1=1.0,
            value2=1.0,     /
 &wt type='TAUTP', istep1=19001,istep2=20000,value1=0.1,
            value2=0.05,    /
#                                                                               
 &wt type='REST', istep1=0,istep2=3000,value1=0.1,                             
            value2=1.0,  /                                                
 &wt type='REST', istep1=3001,istep2=20000,value1=1.0,                         
            value2=1.0,  /                                                  
 &wt type='END'  /
LISTOUT=POUT                                                                   
DISANG=RST