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small corrections
[unres.git]
/
source
/
wham
/
src-HCD-5D
/
parmread.F
diff --git
a/source/wham/src-HCD-5D/parmread.F
b/source/wham/src-HCD-5D/parmread.F
index
89004f4
..
b21acb2
100644
(file)
--- a/
source/wham/src-HCD-5D/parmread.F
+++ b/
source/wham/src-HCD-5D/parmread.F
@@
-102,8
+102,8
@@
c
V2SS = 7.61d0
V3SS = 13.7d0
V2SS = 7.61d0
V3SS = 13.7d0
- do i=1,maxres-1
- do j=i+1,maxres
+ do i=1,max_cyst-1
+ do j=i+1,max_cyst
dyn_ssbond_ij(i,j)=1.0d300
enddo
enddo
dyn_ssbond_ij(i,j)=1.0d300
enddo
enddo
@@
-1064,8
+1064,8
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
-c write(iout,*) "TU DOCHODZE"
-c print *,"JESTEM"
+ write(iout,*) "TU DOCHODZE"
+ print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0