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2D replica exchange with homology constraints
[unres.git]
/
source
/
unres
/
src_MD
/
geomout.F
diff --git
a/source/unres/src_MD/geomout.F
b/source/unres/src_MD/geomout.F
index
a5c6f96
..
ac2c759
100644
(file)
--- a/
source/unres/src_MD/geomout.F
+++ b/
source/unres/src_MD/geomout.F
@@
-461,7
+461,7
@@
c-----------------------------------------------------------------
& (utheta(i),ugamma(i),uscdiff(i),i=1,nfrag_back)
write(format2,'(a1,i3.3)') "a",23+7*nfrag+7*npair
& +21*nfrag_back
- elseif(hremd.gt.0) then
+ elseif(hremd.gt.0.or.homol_nset.gt.1) then
write(line2,'(i5)') iset
format2="a005"
else