#!/usr/bin/perl/

use strict;
use warnings;

my $tpr = "tpr";

my $id;
my $filepath;
my $batch;
my $number;
my $molec;
my $frame;
my $mdstep;

my @tpr;
@tpr = `ls *.tpr`;

print "Script start \n";
print "\n";

foreach (@tpr) {
   
  /(\w{2})(\d{4})_F(\d{5})_S(\d{5})/;

  $id = "AC";
  $molec = $2;
  $frame = $3;
  $mdstep = $4;

    for ($molec=2; $molec<=2; $molec++) { 
      for ($frame=1; $frame<=2; $frame++) {

       my $molecform = sprintf ("%04d", $molec);
       my $frameform = sprintf ("%05d", $frame);    
       print "$id${molecform}_F${frameform}_S${mdstep}\.$tpr \n";
       }
     
   }
} # end of loop through tpr files