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