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Merge branch 'multichain' into lipid
[unres.git]
/
source
/
unres
/
src_MD-M
/
unres.F
diff --git
a/source/unres/src_MD-M/unres.F
b/source/unres/src_MD-M/unres.F
index
4903ec0
..
0aa6efd
100644
(file)
--- a/
source/unres/src_MD-M/unres.F
+++ b/
source/unres/src_MD-M/unres.F
@@
-196,7
+196,6
@@
c---------------------------------------------------------------------------
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
double precision varia(maxvar)
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
double precision varia(maxvar)
-<<<<<<< HEAD
if (indpdb.eq.0) call chainbuild
time00=MPI_Wtime()
print *,'dc',c(1,1)
if (indpdb.eq.0) call chainbuild
time00=MPI_Wtime()
print *,'dc',c(1,1)
@@
-205,14
+204,11
@@
c---------------------------------------------------------------------------
dc(2,0)=c(2,1)
dc(3,0)=c(3,1)
endif
dc(2,0)=c(2,1)
dc(3,0)=c(3,1)
endif
-=======
- if (indpdb.eq.0) call chainbuild
#ifdef MPI
time00=MPI_Wtime()
#else
time00=tcpu()
#endif
#ifdef MPI
time00=MPI_Wtime()
#else
time00=tcpu()
#endif
->>>>>>> f5379d3246c4bd95e946c4d35d4a1c13e329c4cb
call chainbuild_cart
print *,'dc',dc(1,0),dc(2,0),dc(3,0)
if (split_ene) then
call chainbuild_cart
print *,'dc',dc(1,0),dc(2,0),dc(3,0)
if (split_ene) then