MD 4ns at 300K cons P. 
 &cntrl
    imin=0, irest=0, ntx=1,
    ntb=2, ntp=1,taup=2.0,
    cut=10.0, ntc=2, ntf=2,nsnb=10,
    tempi=150.0, temp0=300.0, tautp=1.0, ntt=1,ig=1,
    nscm=500, 
    nstlim=2000000, dt=0.002,       
    ntpr=10000, ntwx=10000,ntwr=10000,ntr=1,nmropt=1,
 &end
 &wt type='END'
 &end
 LISTOUT=POUT
 DISANG=restraint.rst
END 
restrain protein residues
10.0
RES 104 104
END
restrain protein residues
10.0
RES 108 108
END
restrain protein residues
10.0
RES 109 109
END
restrain protein residues
10.0
RES 224 224
END
END


