PSF 1 !NTITLE REMARKS original generated structure x-plor psf file 2 !NATOM 1 MAIN 1 BNT CT CA 2.000000 12.0000 0 2 MAIN 1 BNT CT CA 2.000000 12.0000 0 0 !NBOND: bonds 0 !NTHETA: angles 0 !NPHI: dihedrals 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB