#!/bin/sh set output_root "output/%03d/alad" set namd_config_file "alad_base.namd" set bincoor_file "../prep/alad_%02d.coor" set colvars_file "colvars_%02d.conf" set temperature 300 set num_iter 500 set num_images 20 set num_swarm_steps 20 set num_equil_steps 20000 set smooth_param 0.1 set swarms_force_constant 0.5