#!/bin/sh files=`ls f36g???.pdb` for file in $files do num=`echo $file | sed -e 's/f36g//' | sed -e 's/\.pdb//'` echo "cacy = loadpdb f36g${num}.pdb" > leap.src echo "saveamberparm cacy prmtop.leap91 f36g${num}.xyz" >> leap.src echo "quit" >> leap.src ./tleap.ff91 # rm leap.log # rm leap.src done