simulated annealing protocol, 20 ps

 &cntrl
    nstlim=20000, pencut=-0.001, nmropt=1, igb=1,
    ntpr=200, ntt=1, ntwx=200,
    cut=15.0, ntb=0, vlimit=10,
 /
 &ewald
    eedmeth=5,
 /
#
#Simple simulated annealing algorithm:
#
#from steps 0 to 5000: heat the system to 600K (1000K bl)
#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=1000.,
            value2=1000.,    /
 &wt type='TEMP0', istep1=5001, istep2=18000, value1=1000.0,
            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=UPB12.dist
