300ps NEB ALA-ALA simulated annealing &cntrl imin = 0, irest = 1, ntx=5, ntc=1, ntf=1, ntpr=500, ntwx=10000, ntb = 0, cut = 999.0, rgbmax=999.0, igb = 1, saltcon=0.2, nstlim = 600000, nscm= 0, dt = 0.0005, ntt = 3, gamma_ln=1000.0, temp0=300, ineb = 1,skmin = 50,skmax = 50, nmropt=1 / &wt type='TEMP0', istep1=0,istep2=100000, value1=300.0, value2=400.0 / &wt type='TEMP0', istep1=100001,istep2=200000, value1=400.0, value2=400.0 / &wt type='TEMP0', istep1=200001,istep2=300000, value1=400.0, value2=500.0 / &wt type='TEMP0', istep1=300001,istep2=400000, value1=500.0, value2=500.0 / &wt type='TEMP0', istep1=400001,istep2=500000, value1=500.0, value2=300.0 / &wt type='TEMP0', istep1=500001,istep2=600000, value1=300.0, value2=300.0 / &wt type='END' /