#!/usr/bin/perl use strict; use warnings; my @steps = ( 'ele1.0', 'ele0.5' ); die if @steps < 2; open my $MIN_RUN, '>', 'run' or die "Cannot open 'run': $!"; my $last_step = $steps[0]; for my $step ( @steps[1..$#steps] ) { print $MIN_RUN "/opt/sander -i $step.min -p ../$step.prmtop -o $step$step.e &\n"; print $MIN_RUN "/opt/sander -i $step.min -p ../../$last_step/$last_step.prmtop -o $step$last_step.e &\n"; $last_step = $step; } close $MIN_RUN or warn;