source/unres/src_MD/md-diff/np/hnose_nh.f

   1 c-----------------------------------------------------------------
   2       double precision function HNose_nh(eki,e)
   3       implicit real*8 (a-h,o-z)
   4       include 'DIMENSIONS'
   5       include 'COMMON.MD'
   6       HNose_nh=eki+e+dimen*Rb*t_bath*xlogs(1)+qmass(1)*vlogs(1)**2/2
   7       do i=2,nnos
   8         HNose_nh=HNose_nh+qmass(i)*vlogs(i)**2/2+Rb*t_bath*xlogs(i)
   9       enddo
  10 c      write(4,'(5e15.5)')
  11 c     &       vlogs(1),xlogs(1),HNose,eki,e
  12       return
  13       end