#!/bin/perl
# Written by Hamed S. Hayatshahi in July 2013 in Cheatham lab.
# First argument is a mdout file from a minimization. Second is the path to target files. 

open minout, "$ARGV[0]";
open bond, ">> $ARGV[1]/BOND.dat";
open angle, ">> $ARGV[1]/ANGLE.dat";
open dihed, ">> $ARGV[1]/DIHED.dat";
open vdw, ">> $ARGV[1]/VDW.dat";
open eel, ">> $ARGV[1]/EEL.dat";
open vdw14, ">> $ARGV[1]/VDW1-4.dat";
open eel14, ">> $ARGV[1]/EEL1-4.dat";

while (<minout>) {
	@item = split " ", $_;
	if ($item[0] eq 'BOND') {
		$tbond = $item[2];
		$tangle = $item[5];
		$tdihed = $item[8];
	}
	if ($item[0] eq 'VDWAALS') {
		$tvdw = $item[2];
		$teel = $item[5];
	}
	if ($item[0] eq '1-4') {
		$tvdw14 = $item[3];
		$teel14 = $item[7];
	}

print bond "$tbond\n";
print angle "$tangle\n";
print dihed "$tdihed\n";
print vdw "$tvdw\n";
print eel "$teel\n";
print vdw14 "$tvdw14\n";
print eel14 "$teel14\n";
}