OPUS-PSP v1.0
Copyright (c) 2008 Mingyang Lu and Jianpeng Ma.  All rights reserved.

REFERENCE:
OPUS-PSP: An Orientation-dependent Statistical All-atom Potential 
Derived from Side-chain Packing. Mingyang Lu, Athanasios D. Dousis 
and Jianpeng Ma, JMB (2008) 376, 288-301.

USAGE:
batch mode: 
%./opus_psp < <inputfile> > <outputfile>

interactive mode: 
%./opus_psp
(input pdb filenames)

usage notes:
1. <inputfile> contains a list of pdb filenames, one filename per line.
2. <outputfile> contains the output of OPUS-PSP.
3. "config.psp" indicates the directory of the OPUS-PSP data files.
4. This software has been compiled and tested for Ubuntu x86 Linux.

EXAMPLE:
Given the following input file "input.dat":
----------------
1bvc.pdb
1erc.pdb
1nkl.pdb
3lzt.pdb
----------------

Running OPUS-PSP:

% ./opus_psp < input.dat > output.dat

yields the following output:
------------------------------
                 1bvc.pdb   -2604.220   -2618.591      11.976
                 1erc.pdb    -392.027    -403.592       9.637
                 1nkl.pdb   -1046.687   -1071.067      20.316
                 3lzt.pdb   -2198.088   -2211.645      11.298
------------------------------

where the first column is the pdb filename, the second is the total 
energy, the third is the orientation-dependent energy, and the fourth 
is the LJ repulsive energy, weighted 1.2 as described in the JMB 
reference above.
