The FIELD file contains the force field information defining the nature of the molecular forces. It is read by the subroutine SYSDEF. Excerpts from a force field file are shown below. The example is 5-azauracil.
DL_POLY TEST CASE azauracil units ev molecular types 2 azauracil+ multipole nummols 96 atoms 11 NI 14.007 0.00 1 4 -0.495104 -0.001568 -0.158410 0.013091 -0.459413 0.018431 -0.035157 0.425186 -0.002068 0.032228 0.664233 -0.130477 -0.013206 0.245208 2.059576 0.109874 -0.287987 -0.054286 -0.290048 -0.887905 -0.346797 0.070680 -0.105214 0.418582 -2.343179 NI 14.007 0.00 1 4 -0.608897 0.018043 0.051003 -0.098955 -0.204276 -0.038276 0.039801 0.041331 0.096621 -0.035699 -0.202148 0.109761 -0.163215 -0.050993 2.800004 -0.016288 -1.130707 -0.159565 0.055705 0.353922 -0.056397 0.058125 -0.131937 -0.876265 2.423670 ........ 9 more atoms rigid units 1 11 1 2 3 4 5 6 7 8 9 10 11 mulaxes molaxes 1 3 6 2 3 6 2 3 1 finish azauracil- multipole nummols 96 atoms 11 NI 14.007 0.00 1 4 -0.495104 -0.001568 -0.158410 0.013091 -0.459413 0.018431 -0.035157 0.425186 -0.002068 0.032228 0.664233 -0.130477 -0.013206 0.245208 2.059576 0.109874 -0.287987 -0.054286 -0.290048 -0.887905 -0.346797 0.070680 -0.105214 0.418582 -2.343179 ........ 10 more atoms rigid units 1 11 1 2 3 4 5 6 7 8 9 10 11 mulaxes molaxes 1 3 6 2 3 6 2 3 -1 finish vdw 15 CA CA buck 3832.1 0.277778 25.287 CA HY buck 689.5 0.272480 5.979 CA HP buck 446.9 0.242131 2.374 CA NI buck 3179.5 0.271003 19.007 CA OX buck 3022.8 0.264550 17.160 HY HY buck 124.1 0.267380 1.414 HY HP buck 80.4 0.238095 0.561 HY NI buck 572.1 0.265957 4.494 HY OX buck 543.9 0.259740 4.057 HP HP buck 52.1 0.214592 0.223 HP NI buck 370.8 0.236967 1.784 OX HP buck 352.6 0.232019 1.611 NI NI buck 2638.0 0.264550 14.286 NI OX buck 2508.0 0.258398 12.898 OX OX buck 2384.5 0.252525 11.645 close