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update from Adam
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
contact.f
diff --git
a/source/unres/src-HCD-5D/contact.f
b/source/unres/src-HCD-5D/contact.f
index
cc4e0b7
..
695446f
100644
(file)
--- a/
source/unres/src-HCD-5D/contact.f
+++ b/
source/unres/src-HCD-5D/contact.f
@@
-114,11
+114,13
@@
c----------------------------------------------------------------------------
kkk=0
c print *,'nnt=',nnt,' nct=',nct
do i=nnt,nct-3
kkk=0
c print *,'nnt=',nnt,' nct=',nct
do i=nnt,nct-3
+ if (itype(i).eq.ntyp1) cycle
do k=1,3
c(k,2*nres+1)=0.5d0*(c(k,i)+c(k,i+1))
enddo
do j=i+2,nct-1
do k=1,3
do k=1,3
c(k,2*nres+1)=0.5d0*(c(k,i)+c(k,i+1))
enddo
do j=i+2,nct-1
do k=1,3
+ if (itype(j).eq.ntyp1) cycle
c(k,2*nres+2)=0.5d0*(c(k,j)+c(k,j+1))
enddo
if (dist(2*nres+1,2*nres+2).lt.rcomp) then
c(k,2*nres+2)=0.5d0*(c(k,j)+c(k,j+1))
enddo
if (dist(2*nres+1,2*nres+2).lt.rcomp) then