#!/usr/bin/env bash source /programs/sbgrid.shrc export AMBERHOME=/programs/x86_64-linux/amber/24/ wget https://ambermd.org/tutorials/basic/tutorial5/files/cro.prepin parmchk2 -i cro.prepin -f prepi -o frcmod.cro -a Y -p $AMBERHOME/dat/leap/parm/parm10.dat