PSF EXT 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 } 8 !NATOM 1 METH 1 MEOH CB CG331 -0.040000 12.0110 0 2 METH 1 MEOH OG OG311 -0.650000 15.9994 0 3 METH 1 MEOH HG1 HGP1 0.420000 1.0080 0 4 METH 1 MEOH HB1 HGA3 0.090000 1.0080 0 5 METH 1 MEOH HB2 HGA3 0.090000 1.0080 0 6 METH 1 MEOH HB3 HGA3 0.090000 1.0080 0 7 ION 2 SOD SOD SOD 1.000000 22.9898 0 8 ION 3 CLA CLA CLA -1.000000 35.4500 0 5 !NBOND: bonds 1 2 1 4 1 5 1 6 2 3 7 !NTHETA: angles 1 2 3 2 1 6 2 1 5 2 1 4 4 1 6 4 1 5 5 1 6 3 !NPHI: dihedrals 3 2 1 4 3 2 1 5 3 2 1 6 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 1 0 !NGRP 0 0 0