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corrections
[unres.git]
/
source
/
wham
/
src-HCD
/
cxread.F
diff --git
a/source/wham/src-HCD/cxread.F
b/source/wham/src-HCD/cxread.F
index
cd29176
..
36ef6e6
100644
(file)
--- a/
source/wham/src-HCD/cxread.F
+++ b/
source/wham/src-HCD/cxread.F
@@
-171,8
+171,12
@@
c call flush(iout)
c(j,i+nres+nnt-1)=xoord(j,i+nres)
enddo
enddo
c(j,i+nres+nnt-1)=xoord(j,i+nres)
enddo
enddo
+c write (iout,*) "Before boxshift"
+c call flush(iout)
c Box shift
call oligomer
c Box shift
call oligomer
+c write (iout,*) "After oligomer"
+c call flush(iout)
do i=1,nres
do j=1,3
xoord(j,i)=c(j,i)
do i=1,nres
do j=1,3
xoord(j,i)=c(j,i)
@@
-184,7
+188,8
@@
c Box shift
enddo
enddo
c end change
enddo
enddo
c end change
-
+c write (iout,*) "Before islice"
+c call flush(iout)
if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
& .or. iset.eq.myparm)) then
ii=ii+1
if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
& .or. iset.eq.myparm)) then
ii=ii+1