PSF 4 !NTITLE REMARKS original generated structure x-plor psf file REMARKS topology ../../../../../Charmm36_FF/toppar/top_all36_cgenff.rtf REMARKS topology ../../../../../Charmm36_FF/toppar/toppar_water_ions.str REMARKS segment ION { first NONE; last NONE; auto angles dihedrals } 2 !NATOM 1 ION 1 SOD SOD SOD 1.000000 22.9898 0 2 ION 2 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