PSF 4 !NTITLE REMARKS original generated structure x-plor psf file REMARKS topology C:/Program REMARKS segment WT1 { first NONE; last NONE; auto none } REMARKS segment ION { first NONE; last NONE; auto none } 2 !NATOM 1 ION 2 SOD SOD SOD 1.000000 22.9898 0 2 ION 10 CLA CLA CLA -1.000000 35.4500 0 0 !NBOND: bonds 0 !NTHETA: angles 0 !NPHI: dihedrals 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 1 0 !NGRP 0 0 0