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ctest gfortran mpi correction
[unres.git]
/
source
/
unres
/
src_MD-M
/
initialize_p.F
diff --git
a/source/unres/src_MD-M/initialize_p.F
b/source/unres/src_MD-M/initialize_p.F
index
bb049ab
..
37692d4
100644
(file)
--- a/
source/unres/src_MD-M/initialize_p.F
+++ b/
source/unres/src_MD-M/initialize_p.F
@@
-80,7
+80,9
@@
C
igeom= 8
intin= 9
ithep= 11
+ ithep_pdb=51
irotam=12
+ irotam_pdb=52
itorp= 13
itordp= 23
ielep= 14
@@
-1097,7
+1099,7
@@
c write (iout,*) "MPI_ROTAT2",MPI_ROTAT2
ibond_start=2
ibond_end=nres-1
ibondp_start=nnt
- ibondp_end=nct-1
+ ibondp_end=nct
ivec_start=1
ivec_end=nres-1
iset_start=3