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Merge branch 'adasko' into bartek with corrections
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
int_from_cart1.f
diff --git
a/source/cluster/wham/src-M/int_from_cart1.f
b/source/cluster/wham/src-M/int_from_cart1.f
index
4f768e1
..
7d266de
100644
(file)
--- a/
source/cluster/wham/src-M/int_from_cart1.f
+++ b/
source/cluster/wham/src-M/int_from_cart1.f
@@
-24,6
+24,9
@@
enddo
be=0.0D0
if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1)
enddo
be=0.0D0
if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1)
+ if (i.gt.2) tauangle(3,i+1)=beta(i+nres-1,i-1,i,i+nres)
+ if (i.gt.2) tauangle(1,i+1)=beta(i-1+nres,i-1,i,i+1)
+ if (i.gt.2) tauangle(2,i+1)=beta(i-2,i-1,i,i+nres)
omeg(i)=beta(nres+i,i,maxres2,i+1)
theta(i+1)=alpha(i-1,i,i+1)
alph(i)=alpha(nres+i,i,maxres2)
omeg(i)=beta(nres+i,i,maxres2,i+1)
theta(i+1)=alpha(i-1,i,i+1)
alph(i)=alpha(nres+i,i,maxres2)