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1) changes for FindMPI macro in source/unres/src_MD_DFA
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
diff --git
a/source/unres/src_MD-M/energy_p_new_barrier.F
b/source/unres/src_MD-M/energy_p_new_barrier.F
index
0ba8f26
..
fa6c1de
100644
(file)
--- a/
source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/
source/unres/src_MD-M/energy_p_new_barrier.F
@@
-4081,18
+4081,12
@@
cmc if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds
if (.not.dyn_ss .and. i.le.nss) then
C 15/02/13 CC dynamic SSbond - additional check
C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds
if (.not.dyn_ss .and. i.le.nss) then
C 15/02/13 CC dynamic SSbond - additional check
-<<<<<<< HEAD
if (ii.gt.nres .and. iabs(itype(iii)).eq.1 .and.
& iabs(itype(jjj)).eq.1) then
if (ii.gt.nres .and. iabs(itype(iii)).eq.1 .and.
& iabs(itype(jjj)).eq.1) then
-=======
- if (ii.gt.nres
- & .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
->>>>>>> prerelease-3.2.1
call ssbond_ene(iii,jjj,eij)
ehpb=ehpb+2*eij
endif
cd write (iout,*) "eij",eij
call ssbond_ene(iii,jjj,eij)
ehpb=ehpb+2*eij
endif
cd write (iout,*) "eij",eij
- endif
else
C Calculate the distance between the two points and its difference from the
C target distance.
else
C Calculate the distance between the two points and its difference from the
C target distance.