short md, npt ensemble, trunc oct                                                                                                            
 &cntrl                                                                                                                                       
   ntx=1, irest=0,                                                                                                                            
   ntc=2, ntf=2, tol=0.0000001,                                                                                                               
   nstlim=20, ntt=1,                                                                                                                          
   tempi=300.0, temp0=300.0,                                                                                                                  
   ntb=2,ntp=1,                                                                                                                               
   ntpr=1, ntwr=10000, ntwx=5,                                                                                                                
   dt=0.001,                                                                                                                                  
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 &ewald                                                                                                                                       
  nfft1=64,nfft2=64,nfft3=64,netfrc=0,                                                                                                        
 /