my $passed_dir = $_[0]; my $dirtoget="${passed_dir}/StretchingDecaAlanine/GMXCubicBox/Umbrella"; opendir(IMD, $dirtoget) || die("Cannot open directory"); my @files= readdir(IMD); closedir(IMD); foreach my $f (@files) { if ( (-d $f) and ($f ne ".") and ($f ne "..") ){ my $secdirtoget= "${passed_dir}/StretchingDecaAlanine/GMXCubicBox/Umbrella/${f}"; chdir ($secdirtoget); system ("ln -s ../md_umbrella.mdp ../index.ndx ../topol.top ../posre_CTerm.itp ../posre.itp ."); system ("grompp -f md_umbrella.mdp -c pullconf.gro -n index.ndx"); my $pid = fork(); if ($pid == -1) { die; } elsif ($pid == 0) { print "Running mdrun for within $f\n"; exec 'mdrun', '>logje 2>&1 &' or die; } while (wait() != -1) {} print "Done with mdrun in $f\n"; chdir ("${passed_dir}/StretchingDecaAlanine/GMXCubicBox/Umbrella"); }