Ancillary programs for running Jarzynski test with ORAC 

 Bennett.f90               --->  source code for Bennett acceptance ratio 
 fes.f90                   --->  source code for recostructing the free energy profile using Minh Adib or
                                 Chelli-Procacci formulas
 int_fes.f90               --->  Code not used in tests. Contains the Minh-Adib formula for reweighting when
                                 the force constant is soft. 
                                 Synopsys is:  
                                 $ echo fc | int_fes filename1 filename2 [filename3]

                                 i.e. int_fes reads the forward works in the file filename1, 
                                 the reverse works in the file filename2 and the force constant
                                 (in Kcal mol-1 Angs-2 ) from standard input. The reweighted FES
                                 is written on the file filename3   
                   
                                 N.B. in order to produce a reweighted FES, also the z coordinate must
                                 be provided in the files filename1 and filename2 . To do do so, generate these files using the commands:
                                 $ for i in `ls FORWARD/WRK*` ; do grep 'bond' $i | grep -v '#' | awk '{print  $5,$7,$6}' >> filename1; done
                                 $ for i in `ls REVERSE/WRK*` ; do grep 'bond' $i | grep -v '#' | awk '{print  $5,$7,$6}' >> filename2; done

