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[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
a650241
..
1a5e34a
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
@@
-267,8
+283,8
@@
C
C Initialize constants used to split the energy into long- and short-range
C components
C
C Initialize constants used to split the energy into long- and short-range
C components
C
- r_cut=2.0d0
- rlamb=0.3d0
+C r_cut=2.0d0
+C rlamb=0.3d0
#ifndef SPLITELE
nprint_ene=nprint_ene-1
#endif
#ifndef SPLITELE
nprint_ene=nprint_ene-1
#endif