source/unres/src_MD/md-diff/md/respa_vel.f

   1 c---------------------------------------------------------------------
   2       subroutine RESPA_vel
   3 c  First and last RESPA step (incrementing velocities using long-range
   4 c  forces).
   5       implicit real*8 (a-h,o-z)
   6       include 'DIMENSIONS'
   7       include 'COMMON.CONTROL'
   8       include 'COMMON.VAR'
   9       include 'COMMON.MD'
  10       include 'COMMON.CHAIN'
  11       include 'COMMON.DERIV'
  12       include 'COMMON.GEO'
  13       include 'COMMON.LOCAL'
  14       include 'COMMON.INTERACT'
  15       include 'COMMON.IOUNITS'
  16       include 'COMMON.NAMES'
  17       do j=1,3
  18         d_t(j,0)=d_t(j,0)+0.5d0*d_a(j,0)*d_time
  19       enddo
  20       do i=nnt,nct-1
  21         do j=1,3
  22           d_t(j,i)=d_t(j,i)+0.5d0*d_a(j,i)*d_time
  23         enddo
  24       enddo
  25       do i=nnt,nct
  26         if (itype(i).ne.10) then
  27           inres=i+nres
  28           do j=1,3
  29             d_t(j,inres)=d_t(j,inres)+0.5d0*d_a(j,inres)*d_time
  30           enddo
  31         endif
  32       enddo
  33       return
  34       end