init read seq protein.seq read prot ../../xeasy/simnoe/sim0903.prot update atom shift N -54.742 0.442857143 update atom shift N 117.60 1.000000000 update atom shift ND2 -54.742 0.442857143 update atom shift ND2 117.60 1.000000000 update atom shift NE2 -54.742 0.442857143 update atom shift NE2 117.60 1.000000000 update atom shift NE -54.742 0.442857143 update atom shift NE 117.60 1.000000000 write prot proteino1.prot # change the atom list file name read peaks ../../xeasy/simnoe/sim0903.peaks update peak shift N -54.742 0.442857143 update peak shift N 117.60 1.000000000 write peak simnoeunfold.peaks read peaks simnoeunfold.peaks split simnoeunfold.peaks Nnoe.peaks Cnoe.peaks