diff --git a/mrdna/readers/list.psf b/mrdna/readers/list.psf new file mode 100644 index 0000000000000000000000000000000000000000..89e10e7bb2651bfabdfc1e8cbe874ba71e2bc1f5 --- /dev/null +++ b/mrdna/readers/list.psf @@ -0,0 +1,39 @@ +PSF NAMD + + 0 !NTITLE + + 7 !NATOM + 1 0 1 DNA DNA D000 0.000000 150.0000 0 + 2 0 2 DNA DNA D001 0.000000 300.0000 0 + 3 0 3 DNA DNA D001 0.000000 300.0000 0 + 4 1 4 NAS NAS S000 0.000000 150.0000 0 + 5 1 5 NAS NAS S000 0.000000 150.0000 0 + 6 1 6 NAS NAS S001 0.000000 75.0000 0 + 7 2 7 NAS NAS S000 0.000000 150.0000 0 + + 7 !NBOND + 4 7 3 7 1 2 1 6 + 2 3 4 5 5 6 + + 3 !NTHETA + 5 4 7 4 5 6 1 2 3 + + 0 !NPHI + + 0 !NIMPHI + + + 0 !NDON: donors + + + + 0 !NACC: acceptors + + + + 0 !NNB + + 0 0 0 0 0 0 0 + + 1 0 !NGRP +