Bug fix from Pieter in 't Veld for charmm2lammps.pl script. Changed AddMass() to use correctly.

#    20050603	Fixed centering issues

#    20050630	Fixed symbol issues arising from salt addition

#    20060818	Changed reading of pdb format to read exact columns

#    20070109	Changed AddMass() to use $max_id correctly

#    

#    General	Many thanks to Paul S. Crozier for checking script validity

#    		against his projects.

    my $notes;

    $program		= "charmm2lammps";

    $version		= "1.8.0";

    $year		= "2006";

    $version		= "1.8.1";

    $year		= "2007";

    $add		= 0;

    $water_dens		= 0;

    $ions		= 0;

    my $mass		= shift(@_);

    return if ($symbols{$symbol} ne "");

    $ids{$max_id}	= $symbol;

    $ids{++$max_id}	= $symbol;

    $masses{$max_id}	= $mass;

    $symbols{$symbol}	= $max_id++;

    $symbols{$symbol}	= $max_id;

  }