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Merge branch 'master' of mmka:unres into multichain
[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
70e35ab
..
818abde
100644
(file)
--- a/
source/unres/src_MD-M/initialize_p.F
+++ b/
source/unres/src_MD-M/initialize_p.F
@@
-245,6
+245,22
@@
C Initialize the bridge arrays
ihpb(i)=0
jhpb(i)=0
enddo
ihpb(i)=0
jhpb(i)=0
enddo
+C Initialize correlation arrays
+ do i=-maxtor,maxtor
+ do k=1,2
+ b1(k,i)=0.0
+ b2(k,i)=0.0
+ b1tilde(k,i)=0.0
+c b2tilde(k,i)=0.0
+ do j=1,2
+ CC(j,k,i)=0.0
+ Ctilde(j,k,i)=0.0
+ DD(j,k,i)=0.0
+ Dtilde(j,k,i)=0.0
+ EE(j,k,i)=0.0
+ enddo
+ enddo
+ enddo
C
C Initialize timing.
C
C
C Initialize timing.
C
@@
-377,6
+393,7
@@
cd write (iout,*) 'ns=',ns,' nss=',nss,' ihpb,jhpb',
cd & (ihpb(i),jhpb(i),i=1,nss)
do i=nnt,nct-1
scheck=.false.
cd & (ihpb(i),jhpb(i),i=1,nss)
do i=nnt,nct-1
scheck=.false.
+ if (dyn_ss) goto 10
do ii=1,nss
if (ihpb(ii).eq.i+nres) then
scheck=.true.
do ii=1,nss
if (ihpb(ii).eq.i+nres) then
scheck=.true.