 &cntrl                                                                        
    imin=1, dielc=1,ntb=0,                                                     
    maxcyc=1, ntmin=1, ncyc=0, ntpr=1,ntwr=1, ntwe=1,                                  
    scee=1.0, scnb=1.0, cut=1000.0,                                            
    drms=0.001,nsnb=25,                                               
 &end                                                                          
