$FMOENM group (optional, for FMO runs) This group defines monomer energies for restart jobs. The group should be taken from a previous run. The format is IFG and ILAY, followed by 4 monomer energies, of which only the first two are used (noncorrelated and correlated). IFG is the fragment number and ILAY is the layer number. This group is required for FMO restarts IREST=4. ========================================================== $FMOEND group (optional, for FMO runs) Dimer energies for restart jobs. The group should be taken from a previous run. The format is IFG, JFG and ILAY, followed by 2 dimer energies, (E'IJ and Tr(deltaDIJ*VIJ)). IFG and JFG describe the dimer and ILAY is the layer number. This group is optional for FMO restarts IREST=4 and is otherwise ignored. Note that for parallel restarts, $FMOEND inputs from all nodes should be collected and merged into one group. ==========================================================
generated on 7/7/2017