PSF 4 !NTITLE REMARKS original generated structure x-plor psf file REMARKS topology namdserver-tmp.top REMARKS topology ./CH4.top REMARKS segment A { first NONE; last NONE; auto none } 5 !NATOM 1 A 1 MOL C1 C1 0.000000 12.0110 0 2 A 1 MOL H1 H1 0.000000 1.0080 0 3 A 1 MOL H2 H1 0.000000 1.0080 0 4 A 1 MOL H3 H1 0.000000 1.0080 0 5 A 1 MOL H4 H1 0.000000 1.0080 0 4 !NBOND: bonds 2 1 3 1 4 1 5 1 6 !NTHETA: angles 3 1 2 4 1 2 4 1 3 5 1 2 5 1 3 5 1 4 0 !NPHI: dihedrals 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 1 0 !NGRP 0 0 0