rescode.f
setup_var.f
srtclust.f
+ ssMD.F
timing.F
track.F
wrtclust.f
work_partition.F
- ssMD.F
)
set(UNRES_CLUSTER_WHAM_M_PP_SRC
probabl.F
read_coords.F
readrtns.F
+ ssMD.F
timing.F
track.F
work_partition.F
return
end
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
- subroutine read_ssHist
- implicit none
-
-c Includes
- include 'DIMENSIONS'
- include "DIMENSIONS.FREE"
- include 'COMMON.FREE'
-
-c Local variables
- integer i,j
- character*80 controlcard
-
- do i=1,dyn_nssHist
- call card_concat(controlcard,.true.)
- read(controlcard,*)
- & dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
- enddo
-
- return
- end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
c$$$c-----------------------------------------------------------------------------
c$$$
sc_move.F
shift.F
sort.f
+ ssMD.F
stochfric.F
sumsld.f
surfatom.f
timing.F
together.F
unres.F
- ssMD.F
)
set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F )
rmsd.F
sc_move.F
shift.F
+ ssMD.F
stochfric.F
sumsld.f
test.F
return
end
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
- subroutine read_ssHist
- implicit none
-
-c Includes
- include 'DIMENSIONS'
- include "DIMENSIONS.FREE"
- include 'COMMON.FREE'
-c Local variables
- integer i,j
- character*80 controlcard
-
- do i=1,dyn_nssHist
- call card_concat(controlcard,.true.)
- read(controlcard,*)
- & dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
- enddo
-
- return
- end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
C-----------------------------------------------------------------------------
C-----------------------------------------------------------------------------
C-----------------------------------------------------------------------------
rmsd.F
sc_move.F
sort.f
+ ssMD.F
stochfric.F
sumsld.f
surfatom.f
timing.F
thread.F
unres.F
- ssMD.F
)
set(UNRES_MD_SRC3
regularize.F
rmsd.F
sc_move.F
+ ssMD.F
stochfric.F
test.F
thread.F
return
end
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
- subroutine read_ssHist
- implicit none
-
-c Includes
- include 'DIMENSIONS'
- include "DIMENSIONS.FREE"
- include 'COMMON.FREE'
-
-c Local variables
- integer i,j
- character*80 controlcard
-
- do i=1,dyn_nssHist
- call card_concat(controlcard,.true.)
- read(controlcard,*)
- & dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
- enddo
-
- return
- end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
c$$$c-----------------------------------------------------------------------------
c$$$