init read seq protein.seq read prot ./sim0428.prot #../../xeasy/simnoe/sim0428.prot read prot ./co1.prot append update atom shift N -54.742 0.442857143 update atom shift N 118.10 1.000000000 update atom shift ND2 -54.742 0.442857143 update atom shift ND2 118.10 1.000000000 update atom shift NE2 -54.742 0.442857143 update atom shift NE2 118.10 1.000000000 update atom shift NE -54.742 0.442857143 update atom shift NE 118.10 1.000000000 write prot proteino1.prot # change the atom list file name read peaks ./simnoe.peaks # ../../xeasy/simnoe/sim0428.peaks update peak shift N -54.742 0.442857143 update peak shift N 118.10 1.000000000 write peak simnoeunfold.peaks read peaks simnoeunfold.peaks split simnoeunfold.peaks Nnoe.peaks Cnoe.peaks